Analyte Name

Ethyl (2R,4S)-4-[((3,5-bis(trifluoromethyl)phenyl)methyl)(5-bromo-2-pyrimidinyl)amino]-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-1(2H)-quinolinecarboxylate

CAS Number

866397-26-4

Molecular Formula

C28H24BrF9N4O2

Molecular Weight

699.42

Accurate Mass

698.09

SMILES

FC(F)(F)C1=CC(C(F)(F)F)=CC(CN(C2=NC=C(Br)C=N2)[C@@H]3C4=CC(C(F)(F)F)=CC=C4N([C@@H](C3)CC)C(OCC)=O)=C1

InChI

InChI=1S/C28H24BrF9N4O2/c1-3-20-11-23(21-10-16(26(30,31)32)5-6-22(21)42(20)25(43)44-4-2)41(24-39-12-19(29)13-40-24)14-15-7-17(27(33,34)35)9-18(8-15)28(36,37)38/h5-10,12-13,20,23H,3-4,11,14H2,1-2H3/t20-,23+/m1/s1

IUPAC

Ethyl (2R,4S)-4-((3,5-bis(trifluoromethyl)benzyl)(5-bromopyrimidin-2-yl)amino)-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H)-carboxylate

Country of Origin

CANADA

Product Format

Neat