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

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-naphthalen-1-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(1-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(1-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-naphthalen-1-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(1-naphthyl)methyl]isonipecotic acid Formula: C32H33NO5 MolecularWeight: 511.60812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CC4=CC=CC=C43)N5CCC(CC5)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CC4=CC=CC=C43)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C32H33NO5/c1-36-28-19-25(20-29(37-2)31(28)38-21-22-9-4-3-5-10-22)30(33-17-15-24(16-18-33)32(34)35)27-14-8-12-23-11-6-7-13-26(23)27/h3-14,19-20,24,30H,15-18,21H2,1-2H3,(H,34,35)