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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C(=O)O)C(=O)C2=CC=C(C=C2)NC3=NC4=C(C=C(C=C4)C(F)(F)F)N=C3C5=CC=CC=C5

Isomeric SMILES

C1CN(CC1C(=O)O)C(=O)C2=CC=C(C=C2)NC3=NC4=C(C=C(C=C4)C(F)(F)F)N=C3C5=CC=CC=C5

InChI

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