Catalog Number:
AG00IBEA
Chemical Name:
4-Isoquinolinecarboxylic acid, decahydro-, ethyl ester,(4R,4aR,8aS)-rel-, acetate
CAS Number:
646518-35-6
Molecular Formula:
C14H25NO4
Molecular Weight:
271.3526
MDL Number:
MFCD28390343
IUPAC Name:
acetic acid;ethyl (4R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-4-carboxylate
InChI:
InChI=1S/C12H21NO2.C2H4O2/c1-2-15-12(14)11-8-13-7-9-5-3-4-6-10(9)11;1-2(3)4/h9-11,13H,2-8H2,1H3;1H3,(H,3,4)/t9-,10-,11+;/m1./s1
InChI Key:
JTGYDIIAPFOIAF-NQHCQCOHSA-N
SMILES:
CC(=O)O.CCOC(=O)[C@H]1CNC[C@@H]2[C@H]1CCCC2
