(5S)-5-(3,4-dimethoxyphenyl)-3-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-2-one

Systemtic Name: (5S)-5-(3,4-dimethoxyphenyl)-3-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-2-one Openeye Name: (5S)-3-[(4-benzyloxy-3-methoxy-phenyl)methyl]-5-(3,4-dimethoxyphenyl)piperidin-2-one CAS Name: (5S)-5-(3,4-dimethoxyphenyl)-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-piperidinone IUPAC Name: (5S)-5-(3,4-dimethoxyphenyl)-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-one Traditional Name: (5S)-3-(4-benzoxy-3-methoxy-benzyl)-5-(3,4-dimethoxyphenyl)-2-piperidone Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(C(=O)NC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2CC(C(=O)NC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C28H31NO5/c1-31-24-12-10-21(16-27(24)33-3)23-15-22(28(30)29-17-23)13-20-9-11-25(26(14-20)32-2)34-18-19-7-5-4-6-8-19/h4-12,14,16,22-23H,13,15,17-18H2,1-3H3,(H,29,30)/t22?,23-/m1/s1