CAS Registry Number: 149353-95-7

Name:

2,​7(1H)​-​Isoquinolinedicarbox​ylic acid, 3,​4-​dihydro-​, 2-​(1,​1-​dimethylethyl) ester
2-​(tert-​Butoxycarbonyl)​-​1,​2,​3,​4-​tetrahydroisoquinoli​ne-​7-​carboxylic acid; N-​(tert-​Butoxycarbonyl)​-​1,​2,​3,​4-​tetrahydroisoquinoli​ne-​7-​carboxylic acid 

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)16-7-6-10-4-5-11(13(17)18)8-12(10)9-16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKey: FOOWPXAXLKCQAE-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)C(=O)O

Specification

98%

1. (1) Malovichko, Olga L.; Medicinal Chemistry 2009, V5(2), P158-164 CAPLUS