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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(4-phenylphenyl)methyl]nipecotic acid Formula: C34H35NO4 MolecularWeight: 521.646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C34H35NO4/c1-2-38-32-22-29(19-20-31(32)39-24-25-10-5-3-6-11-25)33(35-21-9-14-30(23-35)34(36)37)28-17-15-27(16-18-28)26-12-7-4-8-13-26/h3-8,10-13,15-20,22,30,33H,2,9,14,21,23-24H2,1H3,(H,36,37)