Molecule FYI-1006033

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A

Molecule Summary:

ID: FYI-1006033
Names:
InChIKey: YOEQYSYPDFYLQJ-CMDGGOBGSA-N
SMILES: CC(=O)c2ccc(NC(=O)/C=C/c1ccco1)cc2

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006033 Edit

Molecule Structure InChIKey: YOEQYSYPDFYLQJ-CMDGGOBGSA-N

Molecule Structure SMILES String: CC(=O)c2ccc(NC(=O)/C=C/c1ccco1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006033
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
   13.1277    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0584    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   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
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    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
   12.1910    3.6306    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
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  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
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 18 17  2  0  0  0  0
 18 10  1  0  0  0  0
 19  4  1  0  0  0  0
 19  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006033-3D
FYIcenter.com

 32 33  0     0  0  0  0  0  0999 V2000
    4.9862    1.1128   -0.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2274   -1.2539    0.0027 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7076   -1.6607   -0.0163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1075    0.5465   -0.0060 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4927    0.3811   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2629    0.0516    0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3281    1.4982    0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0426   -0.9009   -0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7132    1.3335    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4277   -1.0656   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7071   -0.1204    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8811   -0.4477   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7262   -0.1892    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2555    0.1409   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3303   -0.6615   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6262    1.0963    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8094   -0.9778    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8961   -0.0711    0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3430    1.1878   -0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9130    2.5031    0.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4630   -1.8133   -0.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3262    2.2293    0.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8335   -2.0740   -0.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062    1.5149   -0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3540    1.2214   -0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2031   -1.7417   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4667    1.6948   -0.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4633    1.6891    0.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6673    0.7582    0.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8568   -2.0574    0.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9506   -0.3057    0.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7561    2.1859   -0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 19  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  2  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
$$$$

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2023-12-01, 1065👍, 0💬