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

SpectraBase Compound ID	545wRUmART4
InChI	InChI=1S/C28H33NO5/c1-4-6-8-16-25(18-17-22-14-11-15-24(19-22)28(32)33-3)29(21-23-12-9-7-10-13-23)26(30)20-27(31)34-5-2/h7,9-15,19,25H,4-6,8,16,20-21H2,1-3H3
InChIKey	DNSNMYHVCUYOSS-UHFFFAOYSA-N Google Search
Mol Weight	463.6 g/mol
Molecular Formula	C28H33NO5
Exact Mass	463.235873 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	754efjTZsCM
Name	3-{3-[Benzyl(2-ethoxycarbonylacetyl)amino]oct-1-ynyl}benzoic acid methyl ester
Alternate Name(s)	Methyl 3-{3-[benzyl(3-ethoxy-3-oxopropanoyl)amino]-1-octynyl}benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H33NO5
InChI	InChI=1S/C28H33NO5/c1-4-6-8-16-25(18-17-22-14-11-15-24(19-22)28(32)33-3)29(21-23-12-9-7-10-13-23)26(30)20-27(31)34-5-2/h7,9-15,19,25H,4-6,8,16,20-21H2,1-3H3
InChIKey	DNSNMYHVCUYOSS-UHFFFAOYSA-N
Molecular Weight	463.574 g/mol
SMILES	C(N(C(C#Cc1cc(C(=O)OC)ccc1)CCCCC)Cc1ccccc1)(CC(=O)OCC)=O
SPLASH	splash10-0udl-4009000000-52a7e180abcd07d2df49
Source of Spectrum	F4-0-2027-4
Wiley ID	1619932