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

Systemtic Name: 1-[(2,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenyl)-(o-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,5-dimethylphenyl)-(2-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenyl)-(o-tolyl)methyl]isonipecotic acid Formula: C22H27NO2 MolecularWeight: 337.45528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC=CC=C2C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC=CC=C2C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H27NO2/c1-15-8-9-17(3)20(14-15)21(19-7-5-4-6-16(19)2)23-12-10-18(11-13-23)22(24)25/h4-9,14,18,21H,10-13H2,1-3H3,(H,24,25)