4-(2-methyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoic acid

Systemtic Name: 4-(2-methyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoic acid Openeye Name: 4-(2-methyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoic acid CAS Name: 4-[2-methyl-4-(2-pyrimidinyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-(2-methyl-4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 4-[2-methyl-4-(2-pyrimidyl)piperazino]benzoic acid Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C(=O)O)C3=NC=CC=N3

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C(=O)O)C3=NC=CC=N3

InChI

InChI=1S/C16H18N4O2/c1-12-11-19(16-17-7-2-8-18-16)9-10-20(12)14-5-3-13(4-6-14)15(21)22/h2-8,12H,9-11H2,1H3,(H,21,22)