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

Systemtic Name: 1-[1-(2-ethoxyphenyl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(2-ethoxyphenyl)-2-(2-pyridyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(2-ethoxyphenyl)-2-(2-pyridinyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(2-ethoxyphenyl)-2-pyridin-2-ylethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-o-phenetyl-2-(2-pyridyl)ethyl]isonipecotic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H26N2O3/c1-2-26-20-9-4-3-8-18(20)19(15-17-7-5-6-12-22-17)23-13-10-16(11-14-23)21(24)25/h3-9,12,16,19H,2,10-11,13-15H2,1H3,(H,24,25)