Molecule FYI-1013558

A

Molecule Summary:

ID: FYI-1013558
Names:
InChIKey: OMJHYGQXULQISO-CABCVRRESA-N
SMILES: COc2ccc(C[C@@H](C)N[C@@H](C)c1ccccc1)cc2

Received at FYIcenter.com on: 2025-01-08

Molecule ID: FYI-1013558 Edit

Molecule Structure InChIKey: OMJHYGQXULQISO-CABCVRRESA-N

Molecule Structure SMILES String: COc2ccc(C[C@@H](C)N[C@@H](C)c1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013558
FYIcenter.com

 20 21  0  0  1  0  0  0  0  0999 V2000
    0.4788   12.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8999   10.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211    9.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3209    7.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996    8.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5995    7.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    5.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0207    4.7761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1631    3.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4418    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9630    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2415    0.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8205    2.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2786   10.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 19  6  1  0  0  0  0
 20 19  2  0  0  0  0
 20  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013558-3D
FYIcenter.com

 43 44  0     1  0  0  0  0  0999 V2000
    5.2939   -1.0009    0.5754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8683    1.8353   -0.5392 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5565    1.6292    0.0816 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9251    1.3175    0.3135 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5319    1.6183   -1.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3366    2.7308    1.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0631   -0.1860    0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8025    0.9201   -0.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2363    2.0398   -0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8232    1.6420    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9551   -0.4476   -0.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4497   -0.9527    1.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8036   -0.8026   -1.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9967    0.9966    0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284   -1.0931   -0.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5770   -2.3362    1.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9309   -2.1862   -1.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3175   -2.9528   -0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3836   -2.4004    0.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5238    0.6595    0.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1804   -2.1566   -0.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3577   -2.6096   -0.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6226   -2.9633    0.8625 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 25  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  1  0  0  0  0
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  5 24  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
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  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
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 10 32  1  0  0  0  0
 11 15  2  0  0  0  0
 11 33  1  0  0  0  0
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 16 19  2  0  0  0  0
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 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
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 20 43  1  0  0  0  0
M  END
$$$$

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