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

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

Click to see the large picture

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=C3C(=O)O

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=C3C(=O)O

InChI

InChI=1S/C22H17F3N4O5/c23-22(24,25)13-3-6-15-16(9-13)27-17(21(33)34)18(28-15)26-14-4-1-11(2-5-14)19(30)29-8-7-12(10-29)20(31)32/h1-6,9,12H,7-8,10H2,(H,26,28)(H,31,32)(H,33,34)