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

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-phenyl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-phenyl-methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-phenylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-phenyl-methyl]nipecotic acid Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C28H31NO5/c1-32-24-16-23(17-25(33-2)27(24)34-19-20-10-5-3-6-11-20)26(21-12-7-4-8-13-21)29-15-9-14-22(18-29)28(30)31/h3-8,10-13,16-17,22,26H,9,14-15,18-19H2,1-2H3,(H,30,31)