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

Systemtic Name: 1-[1-(3-phenoxyphenyl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(3-phenoxyphenyl)-2-(2-pyridyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(3-phenoxyphenyl)-2-(2-pyridinyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-phenoxyphenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(3-phenoxyphenyl)-2-(2-pyridyl)ethyl]nipecotic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(CC2=CC=CC=N2)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(CC2=CC=CC=N2)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H26N2O3/c28-25(29)20-9-7-15-27(18-20)24(17-21-10-4-5-14-26-21)19-8-6-13-23(16-19)30-22-11-2-1-3-12-22/h1-6,8,10-14,16,20,24H,7,9,15,17-18H2,(H,28,29)