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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=C(C=C3)C4=CC=CC=C4)N5CCCC(C5)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=C(C=C3)C4=CC=CC=C4)N5CCCC(C5)C(=O)O

InChI

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