2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[oxo-[4-[[3-phenyl-7-(trifluoromethyl)-2-quinoxalinyl]amino]phenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]glutaric acid Formula: C27H21F3N4O5 MolecularWeight: 538.47465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21F3N4O5/c28-27(29,30)17-8-11-19-21(14-17)33-24(23(32-19)15-4-2-1-3-5-15)31-18-9-6-16(7-10-18)25(37)34-20(26(38)39)12-13-22(35)36/h1-11,14,20H,12-13H2,(H,31,33)(H,34,37)(H,35,36)(H,38,39)