Butanoic acid, 4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino]-4-oxo-, 4-methylcyclohexyl ester

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 Google Search
Mol Weight	388.48 g/mol
Molecular Formula	C22H29FN2O3
Exact Mass	388.216221 g/mol

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SpectraBase Spectrum ID	ITWTuABMvRB
Name	Butanoic acid, 4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino]-4-oxo-, 4-methylcyclohexyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	388.216220962 u
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	C(CC(NCCC1=C(C)NC2=C1C=C(C=C2)F)=O)C(OC1CCC(C)CC1)=O