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CAS Number: 889675-08-5
tert-butyl 2-((3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-indol-4-yl)oxy)acetate

Structure

 tert-butyl 2-((3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-indol-4-yl)oxy)acetate
Name: tert-butyl 2-((3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-indol-4-yl)oxy)acetate
Synonyms:
General Information
Product Number: 889675085

CAS Registry Number 889675-08-5
Name:
Acetic acid, 2-?[[3-?(2-?amino-?2-?oxoacetyl)?-?2-?ethyl-?1-?(phenylmethyl)?-?1H-?indol-?4-?yl]?oxy]?-?, 1,?1-?dimethylethyl ester
Acetic acid, [[3-(aminooxoacetyl)-2-ethyl-1-(phenylmethyl)-1H-indol-4-yl]oxy]-, 1,1-dimethylethyl ester (9CI)

 

Chemical Formula: C25H28N2O5
Exact Mass: 436.20
Molecular Weight: 436.50
m/z: 436.20 (100.0%), 437.20 (28.0%), 438.21 (3.6%), 438.20 (1.2%)

 

InChI:InChI=1S/C25H28N2O5/c1-5-17-22(23(29)24(26)30)21-18(27(17)14-16-10-7-6-8-11-16)12-9-13-19(21)31-15-20(28)32-25(2,3)4/h6-13H,5,14-15H2,1-4H3,(H2,26,30)

InChI Key:BZBUAIWSQULJSV-UHFFFAOYSA-N

Canonical SMILES:CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)OC(C)(C)C)C(=O)C(=O)N

 

Thermal Properties Value Condition Note
Melting Point 176-178 °C   (1)CAS

Specification

98%
References
  1. (1) Sanz, Roberto; Journal of Organic Chemistry 2007, V72(14), P5113-5118 CAPLUS
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