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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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