1-[(2,6-dimethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(4-phenylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,6-dimethoxyphenyl)-(4-phenylphenyl)methyl]isonipecotic acid Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

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