SpectraBase Spectrum ID |
4mads2tagVd |
Name |
t-Butyl 2-[2'-(4''-chlorobenzamido)-2'-oxoacetamido]-2-cyano-5-phenylpropanoate |
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 |
Synonyms |
tert-Butyl 2-{[{[(6-chloro[1,1'-biphenyl]-3-yl)carbonyl]amino}(oxo)acetyl]amino}-2-cyanopropanoate |
Wiley ID |
815463 |