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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CN=CC=C4)C(=O)O

InChI

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