3-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylic acid

Systemtic Name: 3-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylic acid Openeye Name: 3-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylic acid CAS Name: 3-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methylamino]-2-quinoxalinecarboxylic acid IUPAC Name: 3-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylic acid Traditional Name: 3-(trifluoromethyl)-5-[(3,4,5-trimethoxybenzyl)amino]quinoxaline-2-carboxylic acid Formula: C20H18F3N3O5 MolecularWeight: 437.36923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=CC=CC3=C2N=C(C(=N3)C(=O)O)C(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=CC=CC3=C2N=C(C(=N3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O5/c1-29-13-7-10(8-14(30-2)17(13)31-3)9-24-11-5-4-6-12-15(11)26-18(20(21,22)23)16(25-12)19(27)28/h4-8,24H,9H2,1-3H3,(H,27,28)