Molecule FYI-1011097

A

Molecule Summary:

ID: FYI-1011097
Names:
InChIKey: XYQJDZQSXLXEJQ-FQEVSTJZSA-N
SMILES: O=C(O)c5cccc(N2C(=O)C(O)=C(C(=O)c1cccc(C(F)(F)F)c1)[C@@H]2c4cc(Cl)c3OCOc3c4)c5

Received at FYIcenter.com on: 2024-07-27

Molecule ID: FYI-1011097 Edit

Molecule Structure InChIKey: XYQJDZQSXLXEJQ-FQEVSTJZSA-N

Molecule Structure SMILES String: O=C(O)c5cccc(N2C(=O)C(O)=C(C(=O)c1cccc(C(F)(F)F)c1)[C@@H]2c4cc(Cl)c3OCOc3c4)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1011097
FYIcenter.com

 38 42  0  0  1  0  0  0  0  0999 V2000
    8.6871   10.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6871    8.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4746    8.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2622    8.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2622   10.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4746   10.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0498   10.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7498   12.1171    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8372   11.6047    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3498    9.6923    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6921    7.9436    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
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  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
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 35 33  1  0  0  0  0
 36 35  2  0  0  0  0
 37 35  1  0  0  0  0
 38 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011097-3D
FYIcenter.com

 53 57  0  0  1  0  0  0  0  0999 V2000
    2.0157   -0.9077   -1.5380 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    0.2237   -1.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3689    0.5884   -1.1349 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6261    1.3323   -1.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3795    2.3530   -0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400    3.3392    0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5556    3.2864   -0.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8273    2.2656   -1.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0803    2.2196   -2.1831 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2709    2.6574   -1.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5075    3.1860   -0.5624 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6169    1.1776   -4.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8283    1.3744   -4.8175 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0091    0.0249   -8.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9104   -0.8208   -8.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952   -1.0951   -6.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2379   -2.0421   -6.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 48  1  6  0  0  0
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 28 37  2  0  0  0  0
 29 30  2  0  0  0  0
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 30 32  1  0  0  0  0
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 38 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-06, 1957👍, 0💬