Molecule Editor

Molecule ID: FYI-1004331 Edit

Molecule Structure InChIKey: HUGUEKHNJYELQB-UHFFFAOYSA-N

Molecule Structure SMILES String: C/C(C)=C\C(O)=N/CCc2ccc1OC(C)(C)C=Cc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004331
FYIcenter.com

 44 45  0  0  0  0  0  0  0  0999 V2000
   12.1176    4.1977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059    3.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3294    3.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6941    4.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3294    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5411    4.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3294    4.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6941    1.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1176    1.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4823    3.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4823    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2706    1.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0588    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0588    3.4981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8470    4.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8470    5.5969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6941    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1176    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2706    4.1977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6596    2.0989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6353    2.0988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0243    5.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    6.9961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8227    5.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
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  8 27  1  0  0  0  0
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  6 23  1  0  0  0  0
  5 22  1  0  0  0  0
 20 39  1  0  0  0  0
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 21 44  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004331-3D
FYIcenter.com

 44 45  0     0  0  0  0  0  0999 V2000
   -2.9649   -0.4112   -0.7635 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0376   -0.0171   -1.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3215   -0.8649    0.3081 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5011    0.7365   -0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0364   -0.4462    0.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7811   -0.9501   -0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6720    1.2642    1.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6201   -2.1806    0.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6668    1.8385   -1.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8798    0.3170    0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5159    0.7143    1.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1674   -1.0666    1.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9036   -2.8369    0.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3255   -2.0654   -1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1260   -2.6795   -0.6956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265   -2.2621    0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7550    0.1491   -0.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448    1.4993    0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4097    2.6187   -0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9266    3.9219    0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0566    2.7213   -0.7325 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$