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

Systemtic Name: 1-[4-[[3-methoxycarbonyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid Openeye Name: 1-[4-[[3-methoxycarbonyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[[4-[[3-methoxycarbonyl-6-(trifluoromethyl)-2-quinoxalinyl]amino]phenyl]-oxomethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[[3-methoxycarbonyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-[4-[[3-carbomethoxy-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pyrrolidine-3-carboxylic acid Formula: C23H19F3N4O5 MolecularWeight: 488.41597

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)C(=O)N4CCC(C4)C(=O)O

Isomeric SMILES

COC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)C(=O)N4CCC(C4)C(=O)O

InChI

InChI=1S/C23H19F3N4O5/c1-35-22(34)18-19(29-16-7-4-14(23(24,25)26)10-17(16)28-18)27-15-5-2-12(3-6-15)20(31)30-9-8-13(11-30)21(32)33/h2-7,10,13H,8-9,11H2,1H3,(H,27,29)(H,32,33)