Molecule Editor

Molecule ID: FYI-1006086 Edit

Molecule Structure InChIKey: FNRXUEYLFZLOEZ-LGGPCSOHSA-N

Molecule Structure SMILES String: CN1C2CCC1CC(C2)OC(=O)C(CC3=CC=CC=C3)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006086
FYIcenter.com

 44 46  0     1  0  0  0  0  0999 V2000
    6.1061    0.2587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6985   -1.3689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2267   -0.4253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6180    2.8557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3546    1.8731    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0958    0.9072    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7536    1.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4948    0.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3214    1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8748    0.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0458    0.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1180    3.7218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9324   -0.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9927   -1.0681    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8191   -2.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4174   -3.2910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 14  3  1  1  0  0  0
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 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006086-3D
FYIcenter.com

 44 46  0     1  0  0  0  0  0999 V2000
   -0.4884   -0.0588    0.0705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4340   -2.3637    0.0158 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621   -2.3700   -0.5947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3047    0.9229   -0.8320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1634   -0.5367   -0.6709 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9242    1.4349    0.4981 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7630   -0.8299    0.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6043    0.4797    1.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6512   -0.8325   -0.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875    1.3419    0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8752   -0.0928    0.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6539    1.3204   -1.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1181   -1.2762   -0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5916   -1.0834   -0.3918 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3047   -0.4073    0.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    0.1847    0.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6822    1.4938   -0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0035   -0.0456    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9089    2.0404   -0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0695    1.2706   -0.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$