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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O)OCC5=CC=CC=C5

InChI

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