3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-1-(phenylmethyl)piperidin-4-one

Systemtic Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-1-(phenylmethyl)piperidin-4-one Openeye Name: 1-benzyl-3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]piperidin-4-one CAS Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-(phenylmethyl)-4-piperidinone IUPAC Name: 1-benzyl-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]piperidin-4-one Traditional Name: 3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-1-benzyl-4-piperidone Formula: C34H43NO2 MolecularWeight: 497.71072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CN(CCC2=O)CC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CN(CCC2=O)CC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C34H43NO2/c1-4-5-6-13-21-34(2,3)29-18-19-30(33(23-29)37-26-28-16-11-8-12-17-28)31-25-35(22-20-32(31)36)24-27-14-9-7-10-15-27/h7-12,14-19,23,31H,4-6,13,20-22,24-26H2,1-3H3