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6-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
SpectraBase Compound ID B2e5Fvecygx
InChI InChI=1S/C20H21F3N2O4/c1-11-13(16-10-12(29-20(21,22)23)6-7-17(16)25-11)8-9-24-18(26)14-4-2-3-5-15(14)19(27)28/h2-3,6-7,10,14-15,25H,4-5,8-9H2,1H3,(H,24,26)(H,27,28)
InChIKey QEPKJDWRLSGDDS-UHFFFAOYSA-N
Mol Weight 410.39 g/mol
Molecular Formula C20H21F3N2O4
Exact Mass 410.145342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENvsER36gMa
Name 6-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
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Formula C20H21F3N2O4
InChI InChI=1S/C20H21F3N2O4/c1-11-13(16-10-12(29-20(21,22)23)6-7-17(16)25-11)8-9-24-18(26)14-4-2-3-5-15(14)19(27)28/h2-3,6-7,10,14-15,25H,4-5,8-9H2,1H3,(H,24,26)(H,27,28)
InChIKey QEPKJDWRLSGDDS-UHFFFAOYSA-N
Molecular Weight 410.393 g/mol
SMILES N(C(C1C(C(=O)O)CC=CC1)=O)CCc1c([nH]c2c1cc(cc2)OC(F)(F)F)C
SPLASH splash10-004i-1290000000-6fb08428c76979e45aa0
Synonyms 6-[2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid 6-[[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid
Wiley ID 1443234