1-[(2,5-dimethylphenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,5-dimethylphenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenyl)-(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenyl)-(m-tolyl)methyl]isonipecotic acid Formula: C22H27NO2 MolecularWeight: 337.45528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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