Molecule FYI-1014225

A

Molecule Summary:

ID: FYI-1014225
Names:
InChIKey: OGHNVEJMJSYVRP-UHFFFAOYSA-N
SMILES: COc1ccccc1OCCNCC(O)COc3cccc4[nH]c2ccccc2c34

Received at FYIcenter.com on: 2025-03-12

Molecule ID: FYI-1014225 Edit

Molecule Structure InChIKey: OGHNVEJMJSYVRP-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ccccc1OCCNCC(O)COc3cccc4[nH]c2ccccc2c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1014225
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   14.3771    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5897    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5897    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8020    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8020    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5897    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3771    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3771    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1647    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9523    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5274    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8229    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    4.2000    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  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
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  9  8  1  0  0  0  0
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 28 23  1  0  0  0  0
 29 28  1  0  0  0  0
 29 21  1  0  0  0  0
 30 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014225-3D
FYIcenter.com

 56 59  0     1  0  0  0  0  0999 V2000
   -2.4196    1.7089    0.1113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3639    4.4748   -0.1600 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7777    0.6830   -0.8811 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4985   -0.5016    1.2893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5432   -2.9353   -0.2044 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5279   -0.7147   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-04-11, 270👍, 0💬