1-[1-(4-ethylphenyl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(4-ethylphenyl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(4-ethylphenyl)-2-(2-pyridyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(4-ethylphenyl)-2-(2-pyridinyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-ethylphenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(4-ethylphenyl)-2-(2-pyridyl)ethyl]nipecotic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H26N2O2/c1-2-16-8-10-17(11-9-16)20(14-19-7-3-4-12-22-19)23-13-5-6-18(15-23)21(24)25/h3-4,7-12,18,20H,2,5-6,13-15H2,1H3,(H,24,25)