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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(4-phenylphenyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O)OC

InChI

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