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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(4-phenylphenyl)methyl]isonipecotic 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)N4CCC(CC4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCC(CC4)C(=O)O)OCC5=CC=CC=C5

InChI

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