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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-naphthalen-1-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(1-naphthyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(1-naphthalenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(1-naphthyl)methyl]pipecolinic acid Formula: C31H31NO4 MolecularWeight: 481.58214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCCC4C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCCC4C(=O)O)OCC5=CC=CC=C5

InChI

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