1-[(3,4-dimethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(4-phenylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(4-phenylphenyl)methyl]pipecolinic acid Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCCC4C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCCC4C(=O)O)OC

InChI

InChI=1S/C27H29NO4/c1-31-24-16-15-22(18-25(24)32-2)26(28-17-7-6-10-23(28)27(29)30)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-5,8-9,11-16,18,23,26H,6-7,10,17H2,1-2H3,(H,29,30)