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

Systemtic Name: 2-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]ethanoic acid Openeye Name: 2-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]acetic acid CAS Name: 2-[4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]acetic acid Traditional Name: 2-[4-[[4-(2-pyrimidyl)piperazino]methyl]phenyl]acetic acid Formula: C17H20N4O2 MolecularWeight: 312.3663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2/c22-16(23)12-14-2-4-15(5-3-14)13-20-8-10-21(11-9-20)17-18-6-1-7-19-17/h1-7H,8-13H2,(H,22,23)