2-phenyl-5-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid

Systemtic Name: 2-phenyl-5-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid Openeye Name: 2-phenyl-5-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid CAS Name: 2-phenyl-5-[[[2-(trifluoromethyl)-4-quinazolinyl]amino]methyl]benzoic acid IUPAC Name: 2-phenyl-5-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid Traditional Name: 2-phenyl-5-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid Formula: C23H16F3N3O2 MolecularWeight: 423.38725

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)CNC3=NC(=NC4=CC=CC=C43)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)CNC3=NC(=NC4=CC=CC=C43)C(F)(F)F)C(=O)O

InChI

InChI=1S/C23H16F3N3O2/c24-23(25,26)22-28-19-9-5-4-8-17(19)20(29-22)27-13-14-10-11-16(18(12-14)21(30)31)15-6-2-1-3-7-15/h1-12H,13H2,(H,30,31)(H,27,28,29)