2-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]carbonylamino]benzoic acid Openeye Name: 2-[[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]amino]benzoic acid CAS Name: 2-[[oxo-[4-(4-phenyl-2-pyrimidinyl)-1-piperazinyl]methyl]amino]benzoic acid IUPAC Name: 2-[[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]amino]benzoic acid Traditional Name: 2-[[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]amino]benzoic acid Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H21N5O3/c28-20(29)17-8-4-5-9-19(17)25-22(30)27-14-12-26(13-15-27)21-23-11-10-18(24-21)16-6-2-1-3-7-16/h1-11H,12-15H2,(H,25,30)(H,28,29)