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6-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid isopropyl ester
SpectraBase Compound ID 5TD7PIBGOHd
InChI InChI=1S/C23H27F3N2O4/c1-13(2)31-22(30)18-7-5-4-6-17(18)21(29)27-11-10-16-14(3)28-20-9-8-15(12-19(16)20)32-23(24,25)26/h4-5,8-9,12-13,17-18,28H,6-7,10-11H2,1-3H3,(H,27,29)
InChIKey UIGUNKHGXBLWPZ-UHFFFAOYSA-N
Mol Weight 452.47 g/mol
Molecular Formula C23H27F3N2O4
Exact Mass 452.192292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoYFbGyHy3A
Name 6-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid isopropyl ester
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Formula C23H27F3N2O4
InChI InChI=1S/C23H27F3N2O4/c1-13(2)31-22(30)18-7-5-4-6-17(18)21(29)27-11-10-16-14(3)28-20-9-8-15(12-19(16)20)32-23(24,25)26/h4-5,8-9,12-13,17-18,28H,6-7,10-11H2,1-3H3,(H,27,29)
InChIKey UIGUNKHGXBLWPZ-UHFFFAOYSA-N
Molecular Weight 452.474 g/mol
SMILES N(C(=O)C1C(CC=CC1)C(OC(C)C)=O)CCc1c([nH]c2c1cc(cc2)OC(F)(F)F)C
SPLASH splash10-0006-6590000000-49d2eab9d2bc19d591f8
Synonyms 6-[[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid propan-2-yl ester isopropyl 6-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Propan-2-yl 6-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Propan-2-yl 6-[2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethylcarbamoyl]cyclohex-3-ene-1-carboxylate
Wiley ID 1445429