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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O)OCC5=CC=CC=C5

InChI

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