2-(1,1-Dimethylethyl) 8a-methyl (8aS)-3,4,7,8-tetrahydro-6-oxo-2,8a(1H,6H)-isoquinolinedicarboxylate

CAS Registry Number®

445312-78-7
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CAS Name

2-(1,1-Dimethylethyl) 8a-methyl (8aS)-3,4,7,8-tetrahydro-6-oxo-2,8a(1H,6H)-isoquinolinedicarboxylate

Molecular Formula

C16H23NO5

Molecular Mass

309.36

Cite this Page

2-(1,1-Dimethylethyl) 8a-methyl (8aS)-3,4,7,8-tetrahydro-6-oxo-2,8a(1H,6H)-isoquinolinedicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=445312-78-7 (retrieved 2024-08-21) (CAS RN: 445312-78-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H23NO5/c1-15(2,3)22-14(20)17-8-6-11-9-12(18)5-7-16(11,10-17)13(19)21-4/h9H,5-8,10H2,1-4H3/t16-/m1/s1

InChIKey

InChIKey=DEMROIUOHAMDAU-MRXNPFEDSA-N

SMILES

C(OC)(=O)[C@@]12C(CCN(C(OC(C)(C)C)=O)C1)=CC(=O)CC2

Canonical SMILES

O=C(OC(C)(C)C)N1CCC2=CC(=O)CCC2(C(=O)OC)C1

Other Names for this Substance

  • 2,8a(1H,6H)-Isoquinolinedicarboxylic acid, 3,4,7,8-tetrahydro-6-oxo-, 2-(1,1-dimethylethyl) 8a-methyl ester, (8aS)-
  • 2,8a(1H,3H)-Isoquinolinedicarboxylic acid, 4,6,7,8-tetrahydro-6-oxo-, 2-(1,1-dimethylethyl) 8a-methyl ester, (8aS)-
  • 2-(1,1-Dimethylethyl) 8a-methyl (8aS)-3,4,7,8-tetrahydro-6-oxo-2,8a(1H,6H)-isoquinolinedicarboxylate
  • 2-tert-Butyl 8a-methyl (8aS)-6-oxo-1,2,3,4,6,7,8,8a-octahydroisoquinoline-2,8a-dicarboxylate