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4-Methylcyclohexyl 4-({2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)-4-oxobutanoate
SpectraBase Compound ID FhPF87AbZhm
InChI InChI=1S/C23H29F3N2O4/c1-14-3-5-16(6-4-14)31-22(30)10-9-21(29)27-12-11-18-15(2)28-20-8-7-17(13-19(18)20)32-23(24,25)26/h7-8,13-14,16,28H,3-6,9-12H2,1-2H3,(H,27,29)
InChIKey VQBSPABVQIWSSV-UHFFFAOYSA-N
Mol Weight 454.49 g/mol
Molecular Formula C23H29F3N2O4
Exact Mass 454.207942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2tDLsFKQWA
Name 4-Methylcyclohexyl 4-({2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)-4-oxobutanoate
Alternate Name(s) (4-methylcyclohexyl) 4-[2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethylamino]-4-oxidanylidene-butanoate 4-keto-4-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]butyric acid (4-methylcyclohexyl) ester 4-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-4-oxobutanoic acid (4-methylcyclohexyl) ester (4-methylcyclohexyl) 4-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-4-oxobutanoate
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Formula C23H29F3N2O4
InChI InChI=1S/C23H29F3N2O4/c1-14-3-5-16(6-4-14)31-22(30)10-9-21(29)27-12-11-18-15(2)28-20-8-7-17(13-19(18)20)32-23(24,25)26/h7-8,13-14,16,28H,3-6,9-12H2,1-2H3,(H,27,29)
InChIKey VQBSPABVQIWSSV-UHFFFAOYSA-N
Molecular Weight 454.490 g/mol
SMILES N(C(=O)CCC(OC1CCC(CC1)C)=O)CCc1c([nH]c2c1cc(cc2)OC(F)(F)F)C
SPLASH splash10-002f-9270000000-c5e61ef3f8d52ba815e8
Wiley ID 1512373