Molecule FYI-1006078

A

Molecule Summary:

ID: FYI-1006078
Names:
InChIKey: RKUNBYITZUJHSG-VFSICIBPSA-N
SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

Received at FYIcenter.com on: 2023-11-25

Molecule ID: FYI-1006078 Edit

Molecule Structure InChIKey: RKUNBYITZUJHSG-VFSICIBPSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006078
FYIcenter.com

 44 46  0     1  0  0  0  0  0999 V2000
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    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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    6.5094    1.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
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 21 44  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006078-3D
FYIcenter.com

 44 46  0     1  0  0  0  0  0999 V2000
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    0.2418    2.1035   -0.5999 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0605    2.5649   -0.9266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0110   -0.3672    0.9019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7039    0.8416    0.1140 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4622   -1.4496    0.0633 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0301    0.4501   -1.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8697   -1.0718   -1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1995    1.1151    0.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9330   -1.4119    0.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0420    1.1684    0.7655 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.2451   -2.3078   -0.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-12-01, 373👍, 0💬