3-[[4-(2-carboxypyrrolidin-1-yl)carbonylphenyl]amino]-7-(trifluoromethyl)quinoxaline-2-carboxylic acid

Systemtic Name: 3-[[4-(2-carboxypyrrolidin-1-yl)carbonylphenyl]amino]-7-(trifluoromethyl)quinoxaline-2-carboxylic acid Openeye Name: 3-[4-(2-carboxypyrrolidine-1-carbonyl)anilino]-7-(trifluoromethyl)quinoxaline-2-carboxylic acid CAS Name: 3-[4-[(2-carboxy-1-pyrrolidinyl)-oxomethyl]anilino]-7-(trifluoromethyl)-2-quinoxalinecarboxylic acid IUPAC Name: 3-[4-(2-carboxypyrrolidine-1-carbonyl)anilino]-7-(trifluoromethyl)quinoxaline-2-carboxylic acid Traditional Name: 3-[4-(2-carboxypyrrolidine-1-carbonyl)anilino]-7-(trifluoromethyl)quinoxaline-2-carboxylic acid Formula: C22H17F3N4O5 MolecularWeight: 474.38939

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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=C3C(=O)O)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=C3C(=O)O)C(=O)O

InChI

InChI=1S/C22H17F3N4O5/c23-22(24,25)12-5-8-14-15(10-12)27-17(21(33)34)18(28-14)26-13-6-3-11(4-7-13)19(30)29-9-1-2-16(29)20(31)32/h3-8,10,16H,1-2,9H2,(H,26,28)(H,31,32)(H,33,34)