4-(3,5-dimethyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoic acid

Systemtic Name: 4-(3,5-dimethyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoic acid Openeye Name: 4-(3,5-dimethyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoic acid CAS Name: 4-[3,5-dimethyl-4-(2-pyrimidinyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-(3,5-dimethyl-4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 4-[3,5-dimethyl-4-(2-pyrimidyl)piperazino]benzoic acid Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C2=NC=CC=N2)C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1CN(CC(N1C2=NC=CC=N2)C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H20N4O2/c1-12-10-20(15-6-4-14(5-7-15)16(22)23)11-13(2)21(12)17-18-8-3-9-19-17/h3-9,12-13H,10-11H2,1-2H3,(H,22,23)