R57

3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid


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Chemical Component Summary

Name3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
Identifiers3-[(3-fluoranyl-4-methoxy-phenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
FormulaC18 H13 F4 N3 O3
Molecular Weight395.308
TypeNON-POLYMER
Isomeric SMILESCOc1ccc(cc1F)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O
InChIInChI=1S/C18H13F4N3O3/c1-28-14-5-2-9(6-11(14)19)8-23-16-15(17(26)27)24-12-4-3-10(18(20,21)22)7-13(12)25-16/h2-7H,8H2,1H3,(H,23,25)(H,26,27)
InChIKeyJKKOLPWDKQDVJE-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count43
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 86287490