Molecule FYI-1012327

A

Molecule Summary:

ID: FYI-1012327
Names:
InChIKey: XHODBHQIUSBKAB-UHFFFAOYSA-N
SMILES: O=C(Nc2ccc(Cc1ccc(NC(=O)OCCCCO)cc1)cc2)OCCCCO

Received at FYIcenter.com on: 2024-08-27

Molecule ID: FYI-1012327 Edit

Molecule Structure InChIKey: XHODBHQIUSBKAB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc2ccc(Cc1ccc(NC(=O)OCCCCO)cc1)cc2)OCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1012327
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    6.0603    9.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603   10.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8473   11.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6343   10.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6343    9.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8473    8.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8473   12.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603   13.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2733   12.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4864   13.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4864   14.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2733   15.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603   14.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8473    6.9940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7009   11.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5444    7.7905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14 19  1  0  0  0  0
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 28 29  1  0  0  0  0
 24 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012327-3D
FYIcenter.com

 61 62  0  0  0  0  0  0  0  0999 V2000
    2.5700   -0.9337   -1.7942 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2432   -0.2787   -1.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2669    1.1193   -0.9540 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    1.9519   -1.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3101    1.4618   -2.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5642    2.2660   -3.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9119    3.6022   -3.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1597    4.4756   -4.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0994    6.7483   -2.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 61  1  0  0  0  0
M  END
$$$$

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2024-09-28, 1499👍, 0💬