1-[(2,5-dimethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,5-dimethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,5-dimethoxyphenyl)-(4-phenylphenyl)methyl]nipecotic acid Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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