1-[(4-dimethylaminophenyl)-(2-methylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(2-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(o-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(2-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(2-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(o-tolyl)methyl]nipecotic acid Formula: C22H28N2O2 MolecularWeight: 352.46992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=C(C=C2)N(C)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=C(C=C2)N(C)C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H28N2O2/c1-16-7-4-5-9-20(16)21(17-10-12-19(13-11-17)23(2)3)24-14-6-8-18(15-24)22(25)26/h4-5,7,9-13,18,21H,6,8,14-15H2,1-3H3,(H,25,26)