1-[4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[oxo-[4-[[3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl]amino]phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]proline Formula: C27H21F3N4O3 MolecularWeight: 506.47585

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NC3=NC4=C(C=C(C=C4)C(F)(F)F)N=C3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NC3=NC4=C(C=C(C=C4)C(F)(F)F)N=C3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H21F3N4O3/c28-27(29,30)18-10-13-20-21(15-18)32-23(16-5-2-1-3-6-16)24(33-20)31-19-11-8-17(9-12-19)25(35)34-14-4-7-22(34)26(36)37/h1-3,5-6,8-13,15,22H,4,7,14H2,(H,31,33)(H,36,37)