Molecule FYI-1004909

A

Molecule Summary:

ID: FYI-1004909
Names:
InChIKey: FRCCOVWVDLDBBG-UHFFFAOYSA-N
SMILES: Cc2ccc(OCC(=O)NC(Cc1ccccc1)C(=O)O)cc2

Received at FYIcenter.com on: 2023-09-28

Molecule ID: FYI-1004909 Edit

Molecule Structure InChIKey: FRCCOVWVDLDBBG-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2ccc(OCC(=O)NC(Cc1ccccc1)C(=O)O)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004909
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  4  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 12  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 23 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004909-3D
FYIcenter.com

 42 43  0     1  0  0  0  0  0999 V2000
   -1.8444    1.2434    0.8866 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0141    3.3188   -0.8630 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9094    2.5284    0.0820 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6676    0.9796    1.8176 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5861    1.1989   -0.3085 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9730    1.0789    0.0657 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6402   -0.1000   -0.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9613   -1.4198   -0.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336    2.3641   -0.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3789   -2.1858    0.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9326   -1.8412   -1.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5440    1.1385    0.6062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8035    1.2949   -0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516   -3.4051    0.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3053   -3.0605   -0.9497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7149   -3.8424    0.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0560    0.7482    0.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5017   -0.2519   -0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4367    0.9084   -0.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8800    0.0952    1.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6656    0.4060   -1.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1091   -0.4074    0.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8155   -0.7892   -0.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0272    0.9313    1.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6982   -0.1686   -0.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    0.0791   -1.7391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3731    1.3749   -1.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1837   -1.8521    1.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069   -1.2421   -2.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8737    0.4791   -0.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8251    2.2629   -0.5795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0699   -4.0136    1.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4979   -3.4010   -1.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2262   -4.7917    0.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8266    1.4378   -1.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5765   -0.0281    2.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9627    0.5368   -2.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7509   -0.9199    1.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5449    4.1260   -1.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6975   -1.8176   -1.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2297   -0.1823   -1.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5503   -0.7809   -0.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 17  1  0  0  0  0
  2  9  1  0  0  0  0
  2 39  1  0  0  0  0
  3  9  2  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 28  1  0  0  0  0
 11 15  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
$$$$

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2023-10-11, 2171👍, 0💬