Analyte Name

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

CAS Number

866399-86-2

Molecular Formula

C34H35F9N4O5

Molecular Weight

750.66

Accurate Mass

750.25

SMILES

FC(F)(C1=CC(C(F)(F)F)=CC(CN([C@@H]2C3=CC(C(F)(F)F)=CC=C3N(C(OCC)=O)[C@H](CC)C2)C4=NC=C(C=N4)OCCCC(OCC)=O)=C1)F

InChI

InChI=1S/C34H35F9N4O5/c1-4-24-16-28(26-15-21(32(35,36)37)9-10-27(26)47(24)31(49)51-6-3)46(19-20-12-22(33(38,39)40)14-23(13-20)34(41,42)43)30-44-17-25(18-45-30)52-11-7-8-29(48)50-5-2/h9-10,12-15,17-18,24,28H,4-8,11,16,19H2,1-3H3/t24-,28+/m1/s1

IUPAC

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

Country of Origin

CANADA

Product Format

Neat