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Details

Stereochemistry ACHIRAL
Molecular Formula C15H18ClNO4
Molecular Weight 311.761
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(tert-Butoxycarbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

SMILES

CC(C)(C)OC(=O)N1CCC2=C(Cl)C(=CC=C2C1)C(O)=O

InChI

InChIKey=QUOSTOQXRLXSHP-UHFFFAOYSA-N
InChI=1S/C15H18ClNO4/c1-15(2,3)21-14(20)17-7-6-10-9(8-17)4-5-11(12(10)16)13(18)19/h4-5H,6-8H2,1-3H3,(H,18,19)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2,6(1H)-Isoquinolinedicarboxylic acid, 5-chloro-3,4-dihydro-, 2-(1,1-dimethylethyl) ester
Preferred Name English
2-(tert-Butoxycarbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
Systematic Name English
2-(1,1-Dimethylethyl) 5-chloro-3,4-dihydro-2,6(1H)-isoquinolinedicarboxylate
Systematic Name English
Code System Code Type Description
CAS
2605229-68-1
Created by admin on Wed Apr 02 18:45:15 GMT 2025 , Edited by admin on Wed Apr 02 18:45:15 GMT 2025
PRIMARY
PUBCHEM
156069678
Created by admin on Wed Apr 02 18:45:15 GMT 2025 , Edited by admin on Wed Apr 02 18:45:15 GMT 2025
PRIMARY
FDA UNII
AFB678YG54
Created by admin on Wed Apr 02 18:45:15 GMT 2025 , Edited by admin on Wed Apr 02 18:45:15 GMT 2025
PRIMARY
NIH
NCATS
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