[carbamimidoyl-[[3-(trifluoromethyl)phenyl]methoxycarbonyl]amino] quinoline-2-carboxylate

Systemtic Name: [carbamimidoyl-[[3-(trifluoromethyl)phenyl]methoxycarbonyl]amino] quinoline-2-carboxylate Openeye Name: [carbamimidoyl-[[3-(trifluoromethyl)phenyl]methoxycarbonyl]amino] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [carbamimidoyl-[oxo-[[3-(trifluoromethyl)phenyl]methoxy]methyl]amino] ester IUPAC Name: [carbamimidoyl-[[3-(trifluoromethyl)phenyl]methoxycarbonyl]amino] quinoline-2-carboxylate Traditional Name: quinaldic acid [amidino-[3-(trifluoromethyl)benzyl]oxycarbonyl-amino] ester Formula: C20H15F3N4O4 MolecularWeight: 432.35271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)ON(C(=N)N)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)ON(C(=N)N)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3N4O4/c21-20(22,23)14-6-3-4-12(10-14)11-30-19(29)27(18(24)25)31-17(28)16-9-8-13-5-1-2-7-15(13)26-16/h1-10H,11H2,(H3,24,25)