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

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-(m-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-(m-tolyl)methyl]nipecotic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC=CC(=C2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC=CC(=C2)C)N3CCCC(C3)C(=O)O

InChI

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