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

Systemtic Name: 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylic acid Openeye Name: 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylic acid CAS Name: 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]-2-quinoxalinecarboxylic acid IUPAC Name: 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylic acid Traditional Name: 6-(trifluoromethyl)-3-[(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=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O

InChI

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