Molecule Editor

Molecule ID: FYI-1017409 Edit

Molecule Structure InChIKey: UPKQNCPKPOLASS-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2ccc(CCNCCCC(C#N)(c1ccc(OC)c(OC)c1)C(C)C)cc2OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1017409
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1243    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  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
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 20 19  1  0  0  0  0
 21  4  1  0  0  0  0
 22 21  3  0  0  0  0
 23  4  1  0  0  0  0
 24 23  2  0  0  0  0
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 29 26  1  0  0  0  0
 30 29  1  0  0  0  0
 31 25  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017409-3D
FYIcenter.com

 68 69  0     1  0  0  0  0  0999 V2000
    4.3744    2.9265    1.6237 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.7907   -0.0414    0.5992 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$