Molecule FYI-1004264

A

Molecule Summary:

ID: FYI-1004264
Names:
InChIKey: XFLXFFHAVGERDP-UHFFFAOYSA-N
SMILES: Cc3cccc(N(CC(=O)NC1CCCCC1)C(=O)Cc2ccc(C(=O)NO)cc2)c3

Received at FYIcenter.com on: 2023-08-24

Molecule ID: FYI-1004264 Edit

Molecule Structure InChIKey: XFLXFFHAVGERDP-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cccc(N(CC(=O)NC1CCCCC1)C(=O)Cc2ccc(C(=O)NO)cc2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004264
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
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 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
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 19 18  1  0  0  0  0
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 23 22  1  0  0  0  0
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 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 29  2  0  0  0  0
 31 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004264-3D
FYIcenter.com

 60 62  0  0  0  0  0  0  0  0999 V2000
    0.4551    1.3961    2.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022    0.6943    0.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0238    1.3618   -0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5162    0.7596   -1.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0129   -3.6447    0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9668   -5.8293    1.1147 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9129   -3.7888   -0.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
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 31 60  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 1881👍, 0💬