Siponimod open ring impurity 1^4 2-(((4-(1-(((4-cyclohexyl-3-(trifluoromethyl)benzyl)oxy)imino)ethyl)-2-ethylbenzyl)amino)methyl)acrylic acid

Nom de l'analyte

2-(((4-((E)-N-((4-cyclohexyl-3-(trifluoromethyl)phenyl)methoxy)-C-methyl-carbonimidoyl)-2-ethyl-phenyl)methylamino)methyl)prop-2-enoic acid

Formule moléculaire

C29H35F3N2O3

Poids moléculaire

516.61

Masse précise

516.26

SMILES

C=C(CNCC1=CC=C(/C(C)=N/OCC2=CC(C(F)(F)F)=C(C3CCCCC3)C=C2)C=C1CC)C(O)=O

InChI

InChI=1S/C29H35F3N2O3/c1-4-22-15-24(11-12-25(22)17-33-16-19(2)28(35)36)20(3)34-37-18-21-10-13-26(23-8-6-5-7-9-23)27(14-21)29(30,31)32/h10-15,23,33H,2,4-9,16-18H2,1,3H3,(H,35,36)/b34-20+

IUPAC

2-[[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methyl-carbonimidoyl]-2-ethyl-phenyl]methylamino]methyl]prop-2-enoic acid

Pays d'origine

CANADA

Présentation du produit

Neat