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

Systemtic Name: 1-[4-[[3-carboxy-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpyrrolidine-2,4-dicarboxylic acid Openeye Name: 1-[4-[[3-carboxy-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pyrrolidine-2,4-dicarboxylic acid CAS Name: 1-[[4-[[3-carboxy-6-(trifluoromethyl)-2-quinoxalinyl]amino]phenyl]-oxomethyl]pyrrolidine-2,4-dicarboxylic acid IUPAC Name: 1-[4-[[3-carboxy-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pyrrolidine-2,4-dicarboxylic acid Traditional Name: 1-[4-[[3-carboxy-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pyrrolidine-2,4-dicarboxylic acid Formula: C23H17F3N4O7 MolecularWeight: 518.39889

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=O)C2=CC=C(C=C2)NC3=NC4=C(C=C(C=C4)C(F)(F)F)N=C3C(=O)O)C(=O)O

Isomeric SMILES

C1C(CN(C1C(=O)O)C(=O)C2=CC=C(C=C2)NC3=NC4=C(C=C(C=C4)C(F)(F)F)N=C3C(=O)O)C(=O)O

InChI

InChI=1S/C23H17F3N4O7/c24-23(25,26)12-3-6-14-15(8-12)28-17(22(36)37)18(29-14)27-13-4-1-10(2-5-13)19(31)30-9-11(20(32)33)7-16(30)21(34)35/h1-6,8,11,16H,7,9H2,(H,27,29)(H,32,33)(H,34,35)(H,36,37)