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benzoic acid, 4-[[[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]amino]carbonyl]-, methyl ester
SpectraBase Compound ID 1KSZMbd5toj
InChI InChI=1S/C21H19F3N2O4/c1-12-16(17-11-15(30-21(22,23)24)7-8-18(17)26-12)9-10-25-19(27)13-3-5-14(6-4-13)20(28)29-2/h3-8,11,26H,9-10H2,1-2H3,(H,25,27)
InChIKey KPBMRVUSFQZPJF-UHFFFAOYSA-N
Mol Weight 420.39 g/mol
Molecular Formula C21H19F3N2O4
Exact Mass 420.129692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5t2wHwQgduN
Name 4-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylcarbamoyl]benzoic acid methyl ester
Alternate Name(s) 4-[[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-oxomethyl]benzoic acid methyl ester Methyl 4-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylcarbamoyl]benzoate Methyl 4-[2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethylcarbamoyl]benzoate
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Formula C21H19F3N2O4
InChI InChI=1S/C21H19F3N2O4/c1-12-16(17-11-15(30-21(22,23)24)7-8-18(17)26-12)9-10-25-19(27)13-3-5-14(6-4-13)20(28)29-2/h3-8,11,26H,9-10H2,1-2H3,(H,25,27)
InChIKey KPBMRVUSFQZPJF-UHFFFAOYSA-N
Molecular Weight 420.388 g/mol
SMILES N(C(c1ccc(C(=O)OC)cc1)=O)CCc1c([nH]c2c1cc(cc2)OC(F)(F)F)C
SPLASH splash10-002f-1390000000-352df9d8376e048fee28
Wiley ID 1462533