2-[1-[4-(2-pyridin-4-ylethyl)phenyl]carbonylpiperidin-4-yl]ethanoic acid hydrochloride

Systemtic Name: 2-[1-[4-(2-pyridin-4-ylethyl)phenyl]carbonylpiperidin-4-yl]ethanoic acid hydrochloride Openeye Name: 2-[1-[4-[2-(4-pyridyl)ethyl]benzoyl]-4-piperidyl]acetic acid hydrochloride CAS Name: 2-[1-[oxo-[4-(2-pyridin-4-ylethyl)phenyl]methyl]-4-piperidinyl]acetic acid hydrochloride IUPAC Name: 2-[1-[4-(2-pyridin-4-ylethyl)benzoyl]piperidin-4-yl]acetic acid hydrochloride Traditional Name: 2-[1-[4-[2-(4-pyridyl)ethyl]benzoyl]-4-piperidyl]acetic acid hydrochloride Formula: C21H25ClN2O3 MolecularWeight: 388.8878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)O)C(=O)C2=CC=C(C=C2)CCC3=CC=NC=C3.Cl

Isomeric SMILES

C1CN(CCC1CC(=O)O)C(=O)C2=CC=C(C=C2)CCC3=CC=NC=C3.Cl

InChI

InChI=1S/C21H24N2O3.ClH/c24-20(25)15-18-9-13-23(14-10-18)21(26)19-5-3-16(4-6-19)1-2-17-7-11-22-12-8-17;/h3-8,11-12,18H,1-2,9-10,13-15H2,(H,24,25);1H