t-Butyl 2-[2'-(4''-chlorobenzamido)-2'-oxoacetamido]-2-cyano-5-phenylpropanoate

SpectraBase Compound ID	1RAmk3Xv2Mh
InChI	InChI=1S/C23H22ClN3O5/c1-22(2,3)32-21(31)23(4,13-25)27-20(30)19(29)26-18(28)15-10-11-17(24)16(12-15)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,27,30)(H,26,28,29)
InChIKey	KDYKKVFKVADZMD-UHFFFAOYSA-N Google Search
Mol Weight	455.9 g/mol
Molecular Formula	C23H22ClN3O5
Exact Mass	455.124799 g/mol

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SpectraBase Spectrum ID	4mads2tagVd
Name	t-Butyl 2-[2'-(4''-chlorobenzamido)-2'-oxoacetamido]-2-cyano-5-phenylpropanoate
Alternate Name(s)	tert-Butyl 2-{[{[(6-chloro[1,1'-biphenyl]-3-yl)carbonyl]amino}(oxo)acetyl]amino}-2-cyanopropanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H22ClN3O5
InChI	InChI=1S/C23H22ClN3O5/c1-22(2,3)32-21(31)23(4,13-25)27-20(30)19(29)26-18(28)15-10-11-17(24)16(12-15)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,27,30)(H,26,28,29)
InChIKey	KDYKKVFKVADZMD-UHFFFAOYSA-N
Molecular Weight	455.898 g/mol
SMILES	N(C(C(NC(c1cc(-c2ccccc2)c(cc1)Cl)=O)=O)=O)C(C(OC(C)(C)C)=O)(C#N)C
SPLASH	splash10-000f-4900100000-c6a52000ef57370ba2b7
Source of Spectrum	H-82-917-13
Wiley ID	815463