4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid Openeye Name: 4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid CAS Name: 4-[[3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl]amino]benzoic acid IUPAC Name: 4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid Traditional Name: 4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid Formula: C22H14F3N3O2 MolecularWeight: 409.36067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2NC4=CC=C(C=C4)C(=O)O

InChI

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