Molecule Editor

Molecule ID: FYI-1005718 Edit

Molecule Structure InChIKey: FFTQFHULPHYOIS-UHFFFAOYSA-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-1005718
FYIcenter.com

 49 51  0     1  0  0  0  0  0999 V2000
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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
    7.4645    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2378   -1.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0039   -2.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2981   -2.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8302   -3.5301    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-1005718-3D
FYIcenter.com

 49 51  0     1  0  0  0  0  0999 V2000
   -0.4322    0.2509   -0.8554 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5933    1.1278    1.0108 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7478   -2.3532   -0.4058 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5476   -4.2783    0.5898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3247   -0.1189    0.1717 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5698    0.5864    1.2246 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1644    0.7708   -0.9942 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9506    2.0603    1.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3457    2.1829   -0.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0778    0.3385    0.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7335    0.5419   -1.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6632    0.8455   -0.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9508   -1.6685   -0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8032    0.3049    0.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7190    2.2599   -0.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9558    1.0310    1.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138    2.0084    0.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$