Molecule FYI-1002194

A

Molecule Summary:

ID: FYI-1002194
Names:
InChIKey: ZAHBAFVWKWYECX-VVJWNWSFSA-N
SMILES: O=C2c1ccccc1C(=O)C27C(c4ccc3ccccc3c4)C(N(=O)=O)C(c5ccccc5)C6CCCCC67O

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002194 Edit

Molecule Structure InChIKey: ZAHBAFVWKWYECX-VVJWNWSFSA-N

Molecule Structure SMILES String: O=C2c1ccccc1C(=O)C27C(c4ccc3ccccc3c4)C(N(=O)=O)C(c5ccccc5)C6CCCCC67O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002194
FYIcenter.com

 41 47  0  0  0  0  0  0  0  0999 V2000
    6.7406    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    3.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3768    6.7464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7482    3.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4596    3.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 10 16  1  0  0  0  0
  9 13  1  0  0  0  0
 11 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 26  1  0  0  0  0
  8 23  1  0  0  0  0
 12 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 23 30  2  0  0  0  0
 26 31  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 25 35  2  0  0  0  0
 24 32  2  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
  3 39  1  0  0  0  0
  2 36  1  0  0  0  0
  9 40  1  0  0  0  0
 10 41  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002194-3D
FYIcenter.com

 69 75  0  0  1  0  0  0  0  0999 V2000
    1.1106    0.4518    0.4921 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3160    0.2371    0.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2722    1.2665    0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0305    2.6129   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0962    3.4257   -0.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3579    2.8568   -0.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5824    1.4779   -0.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5320    0.7056   -0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4580   -0.7453    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3932   -1.5099    0.0389 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0268   -1.0998    0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3229   -2.0500   -0.5130 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3380   -1.6527   -2.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0700   -2.4881   -2.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4475   -2.0507   -4.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9651   -0.8480   -4.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4406   -0.3599   -5.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6729    0.5248   -6.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5162    1.0522   -6.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    0.7882   -4.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9427   -0.1797   -3.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7077   -0.5353   -2.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1381   -2.9209   -0.0213 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2310   -2.2291   -0.1803 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5824   -1.9419   -1.3254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9608   -2.1224    0.8163 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3540   -3.3919    1.4438 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3446   -4.5822    1.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212   -4.6467    0.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4828   -5.7404    1.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0812   -6.8348    1.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8204   -6.8243    2.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9678   -5.7182    2.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5976   -2.1236    2.3363 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1220   -2.1957    3.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0987   -2.7569    4.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5834   -2.6420    4.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0165   -2.3054    2.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9722   -1.4798    2.1458 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9951   -0.2116    2.8629 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0449    3.0206    0.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430    4.4908   -0.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1619    3.5093   -1.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5520    1.0467   -0.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0915   -2.8055   -0.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4024   -3.4765   -2.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0704   -2.6940   -4.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4134   -0.6782   -6.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9671    0.7761   -7.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8748    1.6942   -6.6341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3588    1.2917   -4.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0008    0.0659   -2.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0215   -3.7987   -0.6748 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3973   -3.8199    1.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0991   -3.8172    0.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4804   -5.6981    0.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7510   -7.6779    1.9204 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4989   -7.6864    2.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9937   -5.7611    2.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8986   -1.3655    1.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8794   -1.1693    4.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1654   -2.7294    3.8362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8351   -3.8025    4.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9212   -2.2451    5.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0490   -3.5937    4.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -1.9000    5.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3147   -3.2412    2.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9687   -1.7632    3.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -0.0703    3.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  2  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7 44  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  2  0  0  0  0
 14 15  2  0  0  0  0
 14 46  1  0  0  0  0
 15 16  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  2  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 20 51  1  0  0  0  0
 21 22  1  0  0  0  0
 22 52  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 23 53  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 27 28  1  0  0  0  0
 27 34  1  0  0  0  0
 27 54  1  0  0  0  0
 28 29  1  0  0  0  0
 28 33  2  0  0  0  0
 29 30  2  0  0  0  0
 29 55  1  0  0  0  0
 30 31  1  0  0  0  0
 30 56  1  0  0  0  0
 31 32  2  0  0  0  0
 31 57  1  0  0  0  0
 32 33  1  0  0  0  0
 32 58  1  0  0  0  0
 33 59  1  0  0  0  0
 34 35  1  0  0  0  0
 34 39  1  0  0  0  0
 34 60  1  0  0  0  0
 35 36  1  0  0  0  0
 35 61  1  0  0  0  0
 35 62  1  0  0  0  0
 36 37  1  0  0  0  0
 36 63  1  0  0  0  0
 36 64  1  0  0  0  0
 37 38  1  0  0  0  0
 37 65  1  0  0  0  0
 37 66  1  0  0  0  0
 38 39  1  0  0  0  0
 38 67  1  0  0  0  0
 38 68  1  0  0  0  0
 39 40  1  0  0  0  0
 40 69  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-28, 1721👍, 0💬