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

Systemtic Name: 2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-1-(2-methylpropyl)piperidin-4-one Openeye Name: 2-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-1-isobutyl-piperidin-4-one CAS Name: 2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-(2-methylpropyl)-4-piperidinone IUPAC Name: 2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-(2-methylpropyl)piperidin-4-one Traditional Name: 2-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-1-isobutyl-4-piperidone Formula: C31H45NO2 MolecularWeight: 463.6945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCN2CC(C)C)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCN2CC(C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C31H45NO2/c1-6-7-8-12-18-31(4,5)26-15-16-28(29-21-27(33)17-19-32(29)22-24(2)3)30(20-26)34-23-25-13-10-9-11-14-25/h9-11,13-16,20,24,29H,6-8,12,17-19,21-23H2,1-5H3