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CAS Number: 1165923-92-1
tert-butyl 6-cyano-5-methyl-3,4-dihydroisoquinoline-2(1H)-carboxylate

Structure

 tert-butyl 6-cyano-5-methyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
Name: tert-butyl 6-cyano-5-methyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
Synonyms:
General Information
Product Number: 1165923921

CAS Registry Number 1165923-92-1
Name:
2(1H)?-?Isoquinolinecarboxyl?ic acid, 6-?cyano-?3,?4-?dihydro-?5-?methyl-?, 1,?1-?dimethylethyl ester

 

Chemical Formula: C16H20N2O2
Exact Mass: 272.15
Molecular Weight: 272.34
m/z: 272.15 (100.0%), 273.16 (17.6%), 274.16 (1.9%)

 

InChI:InChI=1S/C16H20N2O2/c1-11-12(9-17)5-6-13-10-18(8-7-14(11)13)15(19)20-16(2,3)4/h5-6H,7-8,10H2,1-4H3

InChI Key:JNDWCLSAAIVQBG-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C=CC2=C1CCN(C2)C(=O)OC(C)(C)C)C#N

Specification

98%
References
  1. (1) Demont, Emmanuel H.; ACS Medicinal Chemistry Letters 2011, V2(6), P444-449 CAPLUS
  2. (2) Demont, Emmanuel H.; Journal of Medicinal Chemistry 2011, V54(19), P6724-6733 CAPLUS
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