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

Systemtic Name: 1-[4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid Openeye Name: 1-[4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[oxo-[4-[[6-(trifluoromethyl)-2-quinoxalinyl]amino]phenyl]methyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-[4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pyrrolidine-3-carboxylic acid Formula: C21H17F3N4O3 MolecularWeight: 430.37989

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C(=O)O)C(=O)C2=CC=C(C=C2)NC3=CN=C4C=C(C=CC4=N3)C(F)(F)F

Isomeric SMILES

C1CN(CC1C(=O)O)C(=O)C2=CC=C(C=C2)NC3=CN=C4C=C(C=CC4=N3)C(F)(F)F

InChI

InChI=1S/C21H17F3N4O3/c22-21(23,24)14-3-6-16-17(9-14)25-10-18(27-16)26-15-4-1-12(2-5-15)19(29)28-8-7-13(11-28)20(30)31/h1-6,9-10,13H,7-8,11H2,(H,26,27)(H,30,31)