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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-naphthalen-1-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(1-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(1-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-naphthalen-1-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(1-naphthyl)methyl]isonipecotic acid Formula: C31H31NO4 MolecularWeight: 481.58214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCC(CC4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCC(CC4)C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H31NO4/c1-35-29-20-25(14-15-28(29)36-21-22-8-3-2-4-9-22)30(32-18-16-24(17-19-32)31(33)34)27-13-7-11-23-10-5-6-12-26(23)27/h2-15,20,24,30H,16-19,21H2,1H3,(H,33,34)