1-[4-[[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-[[3-methyl-7-(trifluoromethyl)-2-quinoxalinyl]amino]phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]proline Formula: C22H19F3N4O3 MolecularWeight: 444.40647

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)C(=O)N4CCCC4C(=O)O

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)C(=O)N4CCCC4C(=O)O

InChI

InChI=1S/C22H19F3N4O3/c1-12-19(28-17-11-14(22(23,24)25)6-9-16(17)26-12)27-15-7-4-13(5-8-15)20(30)29-10-2-3-18(29)21(31)32/h4-9,11,18H,2-3,10H2,1H3,(H,27,28)(H,31,32)