1-[2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-oxidanyl-piperidin-1-yl]butan-1-one

Systemtic Name: 1-[2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-oxidanyl-piperidin-1-yl]butan-1-one Openeye Name: 1-[2-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-4-hydroxy-1-piperidyl]butan-1-one CAS Name: 1-[4-hydroxy-2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-piperidinyl]-1-butanone IUPAC Name: 1-[4-hydroxy-2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]piperidin-1-yl]butan-1-one Traditional Name: 1-[2-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-4-hydroxy-piperidino]butan-1-one Formula: C31H45NO3 MolecularWeight: 479.6939

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCN2C(=O)CCC)O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCN2C(=O)CCC)O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H45NO3/c1-5-7-8-12-19-31(3,4)25-16-17-27(29(21-25)35-23-24-14-10-9-11-15-24)28-22-26(33)18-20-32(28)30(34)13-6-2/h9-11,14-17,21,26,28,33H,5-8,12-13,18-20,22-23H2,1-4H3