CAS Registry Number: 170097-67-3

Name:

2,​6(1H)​-​Isoquinolinedicarbox​ylic acid, 3,​4-​dihydro-​, 2-​(1,​1-​dimethylethyl) ester
2-​(tert-​Butoxycarbonyl)​-​1,​2,​3,​4-​tetrahydroisoquinoli​ne-​6-​carboxylic acid; 2-​[[(1,​1-​Dimethylethyl)​oxy]​carbonyl]​-​1,​2,​3,​4-​tetrahydro-​6-​isoquinolinecarboxyl​ic acid; 3,​4-​Dihydro-​1H-​isoquinoline-​2,​6-​dicarboxylic acid 2-​tert-​butyl ester

Chemical Formula: C15H19NO4
Exact Mass: 277.13
Molecular Weight: 277.32
m/z: 277.13 (100.0%), 278.13 (16.6%), 279.14 (2.1%)
Elemental Analysis: C, 64.97; H, 6.91; N, 5.05; O, 23.08

InChI: InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-7-6-10-8-11(13(17)18)4-5-12(10)9-16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKey: UHOIFEOHBGCPHE-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)C(=O)O 

Specification

98%

1. (1) Haginoya, Noriyasu; Journal of Medicinal Chemistry 2004, V47(21), P5167-5182 CAPLUS