2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]acetic acid CAS Name: 2-[4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetic acid Traditional Name: 2-[4-[[4-(2-pyridyl)piperazino]methyl]phenyl]acetic acid Formula: C18H21N3O2 MolecularWeight: 311.37824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)CC(=O)O)C3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)CC(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C18H21N3O2/c22-18(23)13-15-4-6-16(7-5-15)14-20-9-11-21(12-10-20)17-3-1-2-8-19-17/h1-8H,9-14H2,(H,22,23)