Molecule FYI-1015046

A

Molecule Summary:

ID: FYI-1015046
Names:
InChIKey: MHAONJDVCQZTAF-UHFFFAOYSA-N
SMILES: CCC(CO)(CO)COCCCCOC(=O)Nc1ccccc1Cc2ccc(N)cc2

Received at FYIcenter.com on: 2025-06-18

Molecule ID: FYI-1015046 Edit

Molecule Structure InChIKey: MHAONJDVCQZTAF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(CO)(CO)COCCCCOC(=O)Nc1ccccc1Cc2ccc(N)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015046
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
   12.0128    1.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2082    1.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2082    3.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0128    3.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8175    3.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8175    1.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6221    3.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4267    3.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2314    3.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0360    3.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0360    1.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2314    1.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4267    1.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8407    1.0785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0128    5.2193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8175    5.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6221    6.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5123    5.4603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4708    6.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1657    5.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1241    6.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8189    6.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4939    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6228    1.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352    2.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7091    3.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0717    5.2129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8165    3.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4816    3.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3794    1.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  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
 22 27  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015046-3D
FYIcenter.com

 65 66  0  0  0  0  0  0  0  0999 V2000
    8.2753   -1.7534   -7.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8823   -0.3882   -6.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5218   -0.0139   -5.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0655    0.0321   -5.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5173    0.9613   -6.2933 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9947    1.3705   -4.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2716    2.3909   -5.7327 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1012   -1.0583   -4.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6811   -0.7870   -2.9038 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3064   -1.7405   -1.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8579   -3.1342   -2.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5187   -4.1558   -1.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8815   -5.5697   -1.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2711   -5.7421   -1.8981 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9742   -6.3600   -0.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6395   -6.3207    0.2715 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0038   -7.0633   -1.4710 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7557   -8.1099   -0.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4507   -8.5735    0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1478   -9.6293    0.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1580  -10.2629    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4739   -9.8272   -0.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7987   -8.7408   -1.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2783   -8.3020   -2.9668 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8430   -9.1533   -4.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5531   -9.6791   -4.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1875  -10.4438   -5.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1065  -10.7262   -6.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7036  -11.4090   -7.5383 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3598  -10.1174   -6.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7326   -9.3531   -5.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7343   -1.9369   -8.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0208   -2.5735   -6.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3453   -1.8051   -7.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7893   -0.3733   -6.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250    0.3702   -7.3567 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4945   -0.9499   -5.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4947    0.3524   -4.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4006    0.5409   -7.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4364    1.6770   -3.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9081    1.3417   -4.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2377    2.3552   -5.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4509   -2.0346   -4.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0090   -1.0921   -4.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2150   -1.7515   -1.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7188   -1.3846   -0.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9398   -3.0694   -2.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4364   -3.4961   -3.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4409   -4.1285   -0.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0377   -3.8987   -0.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3380   -5.8142   -2.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5410   -6.2977   -0.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1213   -6.8870   -2.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6479   -8.1422    1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8890   -9.9570    1.9981 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7035  -11.0889    0.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2714  -10.3370   -1.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3777   -8.3028   -2.9237 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0147   -7.2575   -3.1679 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8115   -9.5069   -3.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1720  -10.8246   -5.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9445  -12.0617   -7.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4749  -11.8454   -8.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0633  -10.2351   -7.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7258   -8.9092   -5.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 45  1  0  0  0  0
 10 46  1  0  0  0  0
 11 12  1  0  0  0  0
 11 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 13  1  0  0  0  0
 12 49  1  0  0  0  0
 12 50  1  0  0  0  0
 13 14  1  0  0  0  0
 13 51  1  0  0  0  0
 13 52  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 54  1  0  0  0  0
 20 21  1  0  0  0  0
 20 55  1  0  0  0  0
 21 22  2  0  0  0  0
 21 56  1  0  0  0  0
 22 23  1  0  0  0  0
 22 57  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 26  1  0  0  0  0
 25 31  2  0  0  0  0
 26 27  2  0  0  0  0
 26 60  1  0  0  0  0
 27 28  1  0  0  0  0
 27 61  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 62  1  0  0  0  0
 29 63  1  0  0  0  0
 30 31  1  0  0  0  0
 30 64  1  0  0  0  0
 31 65  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 1081👍, 0💬