Molecule Editor

Molecule ID: FYI-1005719 Edit

Molecule Structure InChIKey: WPUIZWXOSDVQJU-UHFFFAOYNA-N

Molecule Structure SMILES String: CC(=O)OCC(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)N3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005719
FYIcenter.com

 49 51  0     1  0  0  0  0  0999 V2000
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    3.7057   -0.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0368    3.0061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7734    2.0235    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5146    1.0576    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1723    1.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9135    0.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7401    1.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2935    0.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 47  1  0  0  0  0
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 24 49  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005719-3D
FYIcenter.com

 49 51  0  0  1  0  0  0  0  0999 V2000
    5.1695   -3.7505    3.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3995   -2.4632    3.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4406   -2.2907    2.6530 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9762   -1.5086    4.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4100   -0.1759    4.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8784    0.5498    2.7913 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3314    1.9473    2.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5927    2.9623    3.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1891    4.2737    3.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5181    4.5851    2.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6487    2.2727    1.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3016   -2.8255    4.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5814   -1.7797    5.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5748   -0.4250    4.7666 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
$$$$