Molecule Editor

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
    8.4626    4.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0327    5.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608    4.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2476    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2476    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0327    1.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8177    2.1044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6029    1.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4626    1.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4626    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6776    2.1044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8925    1.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0350    8.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8227    7.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0019    7.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    6.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1664    4.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6131    5.6543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3981    7.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1998    8.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2074    5.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0101    7.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1914    9.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  1  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  8  9  1  1  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
  5 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  6  0  0  0
 19  6  1  0  0  0  0
 19 21  1  1  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 19  1  6  0  0  0
 25 26  2  0  0  0  0
 24 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 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
    4.1288    3.1484   -2.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0906    3.7964   -2.5758 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8273    3.6359   -2.9236 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9450    2.7174   -3.4686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5544    2.7661   -3.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1276    1.6285   -3.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5752    0.5723   -4.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9729    0.5983   -4.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6300   -0.4833   -5.1005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6752    1.6293   -3.9678 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0006    0.8267   -1.8562 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6828   -0.0728   -1.9328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6679    1.5804   -0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6434    0.6815    1.0051 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7786    0.0661    1.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502    0.6308    2.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3450    1.9372    3.2535 O   0  0  0  0  0  0  0  0  0  0  0  0
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 30 60  1  0  0  0  0
M  END
$$$$