1-[1-(2,4-dimethoxyphenyl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(2,4-dimethoxyphenyl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(2,4-dimethoxyphenyl)-2-(2-pyridyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(2,4-dimethoxyphenyl)-2-(2-pyridinyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(2,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(2,4-dimethoxyphenyl)-2-(2-pyridyl)ethyl]isonipecotic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C21H26N2O4/c1-26-17-6-7-18(20(14-17)27-2)19(13-16-5-3-4-10-22-16)23-11-8-15(9-12-23)21(24)25/h3-7,10,14-15,19H,8-9,11-13H2,1-2H3,(H,24,25)