4-methyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 4-methyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 4-methyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 4-methyl-3-[[2-(trifluoromethyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Formula: C17H12F3N3O2 MolecularWeight: 347.29129

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C17H12F3N3O2/c1-9-6-7-10(15(24)25)8-13(9)21-14-11-4-2-3-5-12(11)22-16(23-14)17(18,19)20/h2-8H,1H3,(H,24,25)(H,21,22,23)