4-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 4-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 4-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Formula: C17H12F3N3O2 MolecularWeight: 347.29129

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2NC3=CC=C(C=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2NC3=CC=C(C=C3)C(=O)O)C(F)(F)F

InChI

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