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

Systemtic Name: 1-[(4-methylphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-methyl-2-pyridyl)-(p-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-methyl-2-pyridyl)-(p-tolyl)methyl]nipecotic acid Formula: C20H24N2O2 MolecularWeight: 324.41676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=NC=C(C=C2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=NC=C(C=C2)C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H24N2O2/c1-14-5-8-16(9-6-14)19(18-10-7-15(2)12-21-18)22-11-3-4-17(13-22)20(23)24/h5-10,12,17,19H,3-4,11,13H2,1-2H3,(H,23,24)