3-[[5-(1,3-benzoxazol-2-yl)pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[5-(1,3-benzoxazol-2-yl)pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[5-(1,3-benzoxazol-2-yl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[5-(1,3-benzoxazol-2-yl)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[5-(1,3-benzoxazol-2-yl)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[5-(1,3-benzoxazol-2-yl)pyrimidin-2-yl]amino]benzoic acid Formula: C18H12N4O3 MolecularWeight: 332.31288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CN=C(N=C3)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CN=C(N=C3)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C18H12N4O3/c23-17(24)11-4-3-5-13(8-11)21-18-19-9-12(10-20-18)16-22-14-6-1-2-7-15(14)25-16/h1-10H,(H,23,24)(H,19,20,21)