Molecule FYI-1005721

A

Molecule Summary:

ID: FYI-1005721
Names:
InChIKey: RKUNBYITZUJHSG-AUSYRVNMSA-N
SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

Received at FYIcenter.com on: 2023-11-11

Molecule ID: FYI-1005721 Edit

Molecule Structure InChIKey: RKUNBYITZUJHSG-AUSYRVNMSA-N

Molecule Structure SMILES String: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005721
FYIcenter.com

 44 46  0     1  0  0  0  0  0999 V2000
    5.2940    0.4091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8864   -1.2185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8060    3.0061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5426    2.0235    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2838    1.0576    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9415    1.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 37  1  0  0  0  0
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 18 20  2  0  0  0  0
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 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005721-3D
FYIcenter.com

 44 46  0     1  0  0  0  0  0999 V2000
    0.4368    0.3013    0.8129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6459   -0.6450   -0.9859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5935    2.9191    0.2024 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4411    0.3174   -0.2914 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1411   -0.3765    0.9665 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5345   -0.3083   -1.2611 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2542   -1.8308    0.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8506   -1.7855   -0.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7243   -0.0609    1.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0557    0.0144   -0.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6349   -0.3760    0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4089    1.7671   -0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-11-18, 1851👍, 0💬