Molecule FYI-1012638

A

Molecule Summary:

ID: FYI-1012638
Names:
InChIKey: BCHYETPDVZFHHP-UYCCIJDESA-N
SMILES: CC[C@@H]4CN3CC[C@]2(C(=O)Nc1cccc(O)c12)[C@]3(C)C[C@@H]4/C(=C\\OC)C(=O)OC

Received at FYIcenter.com on: 2024-10-03

Molecule ID: FYI-1012638 Edit

Molecule Structure InChIKey: BCHYETPDVZFHHP-UYCCIJDESA-N

Molecule Structure SMILES String: CC[C@@H]4CN3CC[C@]2(C(=O)Nc1cccc(O)c12)[C@]3(C)C[C@@H]4/C(=C\OC)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1012638
FYIcenter.com

 30 33  0  0  1  0  0  0  0  0999 V2000
   10.8925    4.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6776    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4626    5.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2476    6.3132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  6 20  1  6  0  0  0
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 29 26  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012638-3D
FYIcenter.com

 60 63  0  0  1  0  0  0  0  0999 V2000
    1.7572   -0.4072    1.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -1.2962    1.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8760   -0.4679    0.4138 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9549   -1.0569   -0.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8883   -0.3014   -2.0297 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.9648    0.0985   -2.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2756    1.0577   -3.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0501    1.6520   -3.2367 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.0906    3.7964   -2.5758 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-10-14, 1174👍, 0💬