Molecule FYI-1006459

A

Molecule Summary:

ID: FYI-1006459
Names:
InChIKey: SOJDTNUCCXWTMG-UHFFFAOYSA-N
SMILES: COc3ccc(C(=O)NC2(C(=O)O)Cc1ccccc1C2)cc3OCCc4cccc(C)c4

Received at FYIcenter.com on: 2023-12-21

Molecule ID: FYI-1006459 Edit

Molecule Structure InChIKey: SOJDTNUCCXWTMG-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(C(=O)NC2(C(=O)O)Cc1ccccc1C2)cc3OCCc4cccc(C)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006459
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    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
    6.0623    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4101    2.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6575    2.1664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2360    2.0394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
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  9  8  1  0  0  0  0
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 31 22  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006459-3D
FYIcenter.com

 60 63  0     0  0  0  0  0  0999 V2000
   -0.0932    2.7011   -4.7382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0345    2.8773   -2.4663 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0544   -1.9807   -2.4702 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2049    0.4823    2.7844 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1830   -1.8712    3.8545 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310    0.3118   -2.1237 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0274    0.6895   -3.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    0.2032   -4.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2803    0.1188   -4.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0675   -1.0114   -1.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5411   -0.5325   -7.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6726   -0.4737    1.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3826   -2.6256    1.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-12-31, 1840👍, 0💬