Molecule FYI-1005720

A

Molecule Summary:

ID: FYI-1005720
Names:
InChIKey: RKUNBYITZUJHSG-PJPHBNEVSA-N
SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

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

Molecule ID: FYI-1005720 Edit

Molecule Structure InChIKey: RKUNBYITZUJHSG-PJPHBNEVSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1005720
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
    8.2838    1.0576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5426    2.0235    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6827    0.5488    0.0000 C   0  0  0  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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 11 32  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-1005720-3D
FYIcenter.com

 44 46  0     1  0  0  0  0  0999 V2000
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    0.6817   -0.5873   -0.9870 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7298    2.9774    0.2128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2700    0.5499   -0.1920 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4977   -0.1941   -1.2050 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -3.8296   -1.6658   -0.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2133   -1.7103    0.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2072    0.1270    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 18  1  0  0  0  0
 16 37  1  0  0  0  0
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M  END
$$$$

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2023-11-18, 749👍, 0💬