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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-naphthalen-1-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(1-naphthyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(1-naphthalenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(1-naphthyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCCC4C(=O)O)OCC5=CC=CC=C5

InChI

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