2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylbenzoic acid

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylbenzoic acid Openeye Name: 2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzoic acid CAS Name: 2-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzoic acid Traditional Name: 2-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzoic acid Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H16N4O3/c21-14(12-4-1-2-5-13(12)15(22)23)19-8-10-20(11-9-19)16-17-6-3-7-18-16/h1-7H,8-11H2,(H,22,23)