Molecule FYI-1004559

A

Molecule Summary:

ID: FYI-1004559
Names:
InChIKey: NGEJTJCZDPSHBH-FNORWQNLSA-N
SMILES: CC(C)/C=C/CCCCC(=O)NCc1ccc(O)c(OCCF)c1

Received at FYIcenter.com on: 2023-09-13

Molecule ID: FYI-1004559 Edit

Molecule Structure InChIKey: NGEJTJCZDPSHBH-FNORWQNLSA-N

Molecule Structure SMILES String: CC(C)/C=C/CCCCC(=O)NCc1ccc(O)c(OCCF)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004559
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   16.9741    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 19  2  0  0  0  0
 24 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004559-3D
FYIcenter.com

 52 52  0  0  0  0  0  0  0  0999 V2000
    3.4984    0.1346   -2.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0235   -0.1428   -0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4941   -0.1540   -0.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5914   -1.4451   -0.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3765   -1.5320    0.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9119   -2.8299    1.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4433   -2.8461    1.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -4.1748    1.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4950   -4.2342    1.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9588   -5.5733    2.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3194   -6.6012    2.2513 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1785   -5.5346    3.0418 N   0  0  0  0  0  0  0  0  0  0  0  0
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  6 35  1  0  0  0  0
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 14 24  2  0  0  0  0
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 24 52  1  0  0  0  0
M  END
$$$$

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2023-09-23, 2365👍, 0💬