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

Systemtic Name: 1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]isonipecotic acid Formula: C27H29NO2 MolecularWeight: 399.52466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C27H29NO2/c1-19-8-9-20(2)25(18-19)26(28-16-14-24(15-17-28)27(29)30)23-12-10-22(11-13-23)21-6-4-3-5-7-21/h3-13,18,24,26H,14-17H2,1-2H3,(H,29,30)