1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-naphthalen-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-naphthalen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2-naphthyl)methyl]nipecotic 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=CC4=CC=CC=C4C=C3)N5CCCC(C5)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=CC=CC=C4C=C3)N5CCCC(C5)C(=O)O

InChI

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