Molecule FYI-1015850

A

Molecule Summary:

ID: FYI-1015850
Names:
InChIKey: AIHBVTKEWBRCNN-SHHOIMCASA-N
SMILES: CC/C(=C(Cc1ccccc1)\\c2ccccc2OCCN(C)C)c3ccccc3

Received at FYIcenter.com on: 2025-10-22

Molecule ID: FYI-1015850 Edit

Molecule Structure InChIKey: AIHBVTKEWBRCNN-SHHOIMCASA-N

Molecule Structure SMILES String: CC/C(=C(Cc1ccccc1)\c2ccccc2OCCN(C)C)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015850
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
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  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
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 18 17  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24  3  1  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015850-3D
FYIcenter.com

 60 62  0  0  0  0  0  0  0  0999 V2000
    3.2519   -1.3543    0.9364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6848   -0.1363    0.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1144    0.2658   -1.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2722    0.4550   -2.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8008    0.9080   -3.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8610    1.5402   -4.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    2.1888   -4.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3300    2.3852   -5.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2103    1.6800   -7.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1567    1.3837   -6.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2713   -0.6211   -3.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0941   -0.7167   -3.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0191   -0.1380   -2.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0284    2.4405   -0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5599    3.7858    0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7158    3.1938    2.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 60  1  0  0  0  0
M  END
$$$$

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2025-10-24, 442👍, 0💬