Molecule Editor

Molecule ID: FYI-1006081 Edit

Molecule Structure InChIKey: RKUNBYITZUJHSG-OFQRWUPVSA-N

Molecule Structure SMILES String: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006081
FYIcenter.com

 44 46  0     1  0  0  0  0  0999 V2000
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    5.8864   -1.2185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8060    3.0061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5426    2.0235    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2838    1.0576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9415    1.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    0.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5094    1.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0628    0.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2337    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006081-3D
FYIcenter.com

 44 46  0  0  1  0  0  0  0  0999 V2000
    1.3352   -0.8018   -0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2369   -1.8805   -0.3804 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9605   -3.2627    0.1004 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3291   -3.8442   -0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2493   -2.6156   -0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3746   -1.4744    0.3875 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9564   -1.3706    1.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6930   -2.1978    2.3279 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8567   -3.5282    1.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4068   -1.8588    1.7575 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5661   -1.0255    2.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4575   -0.2915    3.1582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7206   -1.0809    1.1707 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6633   -2.2660    0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6163   -3.5599    0.7628 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$