1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(4-phenylphenyl)methyl]isonipecotic acid Formula: C34H35NO5 MolecularWeight: 537.6454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=C(C=C3)C4=CC=CC=C4)N5CCC(CC5)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=C(C=C3)C4=CC=CC=C4)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C34H35NO5/c1-38-30-21-29(22-31(39-2)33(30)40-23-24-9-5-3-6-10-24)32(35-19-17-28(18-20-35)34(36)37)27-15-13-26(14-16-27)25-11-7-4-8-12-25/h3-16,21-22,28,32H,17-20,23H2,1-2H3,(H,36,37)