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

Systemtic Name: 1-[4-[[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid Openeye Name: 1-[4-[[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[[4-[[3-methyl-7-(trifluoromethyl)-2-quinoxalinyl]amino]phenyl]-oxomethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-[4-[[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pyrrolidine-3-carboxylic acid 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)N4CCC(C4)C(=O)O

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)C(=O)N4CCC(C4)C(=O)O

InChI

InChI=1S/C22H19F3N4O3/c1-12-19(28-18-10-15(22(23,24)25)4-7-17(18)26-12)27-16-5-2-13(3-6-16)20(30)29-9-8-14(11-29)21(31)32/h2-7,10,14H,8-9,11H2,1H3,(H,27,28)(H,31,32)