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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCCC4C(=O)O

InChI

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