1-[4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[oxo-[4-[[7-(trifluoromethyl)-2-quinoxalinyl]amino]phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]proline Formula: C21H17F3N4O3 MolecularWeight: 430.37989

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NC3=CN=C4C=CC(=CC4=N3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NC3=CN=C4C=CC(=CC4=N3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C21H17F3N4O3/c22-21(23,24)13-5-8-15-16(10-13)27-18(11-25-15)26-14-6-3-12(4-7-14)19(29)28-9-1-2-17(28)20(30)31/h3-8,10-11,17H,1-2,9H2,(H,26,27)(H,30,31)