3-{3-[Benzyl(2-ethoxycarbonylacetyl)amino]-3-methylbut-1-ynyl}benzoic acid methyl ester

SpectraBase Compound ID	C2JGcqM8Fso
InChI	InChI=1S/C25H27NO5/c1-5-31-23(28)17-22(27)26(18-20-10-7-6-8-11-20)25(2,3)15-14-19-12-9-13-21(16-19)24(29)30-4/h6-13,16H,5,17-18H2,1-4H3
InChIKey	IGYJGMRCQFCATA-UHFFFAOYSA-N Google Search
Mol Weight	421.49 g/mol
Molecular Formula	C25H27NO5
Exact Mass	421.188923 g/mol

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SpectraBase Spectrum ID	BvZPrAMd3dx
Name	3-{3-[Benzyl(2-ethoxycarbonylacetyl)amino]-3-methylbut-1-ynyl}benzoic acid methyl ester
Alternate Name(s)	Methyl 3-{3-[benzyl(3-ethoxy-3-oxopropanoyl)amino]-3-methyl-1-butynyl}benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H27NO5
InChI	InChI=1S/C25H27NO5/c1-5-31-23(28)17-22(27)26(18-20-10-7-6-8-11-20)25(2,3)15-14-19-12-9-13-21(16-19)24(29)30-4/h6-13,16H,5,17-18H2,1-4H3
InChIKey	IGYJGMRCQFCATA-UHFFFAOYSA-N
Molecular Weight	421.493 g/mol
SMILES	C(N(C(C#Cc1cc(C(=O)OC)ccc1)(C)C)Cc1ccccc1)(CC(=O)OCC)=O
SPLASH	splash10-0006-6090000000-4e4298d071966b9ff44c
Source of Spectrum	F4-0-2026-4
Wiley ID	1619942