2-[[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]benzoyl]amino]benzoic acid CAS Name: 2-[[oxo-[3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]methyl]amino]benzoic acid IUPAC Name: 2-[[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoyl]amino]benzoic acid Traditional Name: 2-[[3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]benzoyl]amino]benzoic acid Formula: C23H17N5O3 MolecularWeight: 411.41278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C23H17N5O3/c29-21(27-20-9-2-1-8-18(20)22(30)31)15-5-3-7-17(13-15)26-23-25-12-10-19(28-23)16-6-4-11-24-14-16/h1-14H,(H,27,29)(H,30,31)(H,25,26,28)