2-(2-methylphenyl)-2-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid

Systemtic Name: 2-(2-methylphenyl)-2-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid Openeye Name: 2-(o-tolyl)-2-[4-(4-pyridyl)piperazin-1-yl]butanoic acid CAS Name: 2-(2-methylphenyl)-2-(4-pyridin-4-yl-1-piperazinyl)butanoic acid IUPAC Name: 2-(2-methylphenyl)-2-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid Traditional Name: 2-(o-tolyl)-2-[4-(4-pyridyl)piperazino]butyric acid Formula: C20H25N3O2 MolecularWeight: 339.4314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1C)(C(=O)O)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CCC(C1=CC=CC=C1C)(C(=O)O)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C20H25N3O2/c1-3-20(19(24)25,18-7-5-4-6-16(18)2)23-14-12-22(13-15-23)17-8-10-21-11-9-17/h4-11H,3,12-15H2,1-2H3,(H,24,25)