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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(5-methyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(5-methyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(5-methyl-2-pyridyl)methyl]isonipecotic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-14-4-5-19(22-13-14)20(18-11-15(2)10-16(3)12-18)23-8-6-17(7-9-23)21(24)25/h4-5,10-13,17,20H,6-9H2,1-3H3,(H,24,25)