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4-Methylcyclohexyl 4-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino}-4-oxobutanoate
SpectraBase Compound ID KiTfmk4YMSe
InChI InChI=1S/C22H29FN2O3/c1-14-3-6-17(7-4-14)28-22(27)10-9-21(26)24-12-11-18-15(2)25-20-8-5-16(23)13-19(18)20/h5,8,13-14,17,25H,3-4,6-7,9-12H2,1-2H3,(H,24,26)
InChIKey PWUWHWWBRJVBAH-UHFFFAOYSA-N
Mol Weight 388.48 g/mol
Molecular Formula C22H29FN2O3
Exact Mass 388.216221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zdSPfVs7Uj
Name 4-Methylcyclohexyl 4-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino}-4-oxobutanoate
Alternate Name(s) (4-methylcyclohexyl) 4-[2-(5-fluoranyl-2-methyl-1H-indol-3-yl)ethylamino]-4-oxidanylidene-butanoate 4-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethylamino]-4-keto-butyric acid (4-methylcyclohexyl) ester 4-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethylamino]-4-oxobutanoic acid (4-methylcyclohexyl) ester Butanoic acid, 4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino]-4-oxo-, 4-methylcyclohexyl ester (4-methylcyclohexyl) 4-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethylamino]-4-oxobutanoate
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Formula C22H29FN2O3
InChI InChI=1S/C22H29FN2O3/c1-14-3-6-17(7-4-14)28-22(27)10-9-21(26)24-12-11-18-15(2)25-20-8-5-16(23)13-19(18)20/h5,8,13-14,17,25H,3-4,6-7,9-12H2,1-2H3,(H,24,26)
InChIKey PWUWHWWBRJVBAH-UHFFFAOYSA-N
Molecular Weight 388.483 g/mol
SMILES N(C(=O)CCC(OC1CCC(CC1)C)=O)CCc1c([nH]c2c1cc(cc2)F)C
SPLASH splash10-01t9-3900000000-7ac6c4dbd45118d40c8b
Wiley ID 1449312