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

Systemtic Name: 2-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]benzoic acid Openeye Name: 2-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]benzoic acid CAS Name: 2-[4-[[2-(trifluoromethyl)-4-quinazolinyl]amino]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]benzoic acid Traditional Name: 2-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]benzoic acid Formula: C22H14F3N3O2 MolecularWeight: 409.36067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC3=NC(=NC4=CC=CC=C43)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC3=NC(=NC4=CC=CC=C43)C(F)(F)F)C(=O)O

InChI

InChI=1S/C22H14F3N3O2/c23-22(24,25)21-27-18-8-4-3-7-17(18)19(28-21)26-14-11-9-13(10-12-14)15-5-1-2-6-16(15)20(29)30/h1-12H,(H,29,30)(H,26,27,28)