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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-naphthalen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(2-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2-naphthyl)methyl]nipecotic acid Formula: C32H33NO4 MolecularWeight: 495.60872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C32H33NO4/c1-2-36-30-20-27(16-17-29(30)37-22-23-9-4-3-5-10-23)31(33-18-8-13-28(21-33)32(34)35)26-15-14-24-11-6-7-12-25(24)19-26/h3-7,9-12,14-17,19-20,28,31H,2,8,13,18,21-22H2,1H3,(H,34,35)