3-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid CAS Name: 3-[4-(2-pyrimidinyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-[4-(2-pyrimidyl)piperazino]benzoic acid Formula: C15H16N4O2 MolecularWeight: 284.31314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(=O)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(=O)O)C3=NC=CC=N3

InChI

InChI=1S/C15H16N4O2/c20-14(21)12-3-1-4-13(11-12)18-7-9-19(10-8-18)15-16-5-2-6-17-15/h1-6,11H,7-10H2,(H,20,21)