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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(1-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(1-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(1-naphthyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O)OCC5=CC=CC=C5

InChI

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