2-(1,1-Dimethylethyl) (3S,4aS,8aS)-octahydro-2,3(1H)-isoquinolinedicarboxylate

CAS Registry Number®

115238-59-0
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CAS Name

2-(1,1-Dimethylethyl) (3S,4aS,8aS)-octahydro-2,3(1H)-isoquinolinedicarboxylate

Molecular Formula

C15H25NO4

Molecular Mass

283.36

Cite this Page

2-(1,1-Dimethylethyl) (3S,4aS,8aS)-octahydro-2,3(1H)-isoquinolinedicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=115238-59-0 (retrieved 2024-09-07) (CAS RN: 115238-59-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-9-11-7-5-4-6-10(11)8-12(16)13(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)/t10-,11+,12-/m0/s1

InChIKey

InChIKey=WWTFZHGXVCAEKT-TUAOUCFPSA-N

SMILES

C(OC(C)(C)C)(=O)N1[C@H](C(O)=O)C[C@]2([C@@](C1)(CCCC2)[H])[H]

Canonical SMILES

O=C(OC(C)(C)C)N1CC2CCCCC2CC1C(=O)O

Other Names for this Substance

  • 2,3(1H)-Isoquinolinedicarboxylic acid, octahydro-, 2-(1,1-dimethylethyl) ester, (3S,4aS,8aS)-
  • 2,3(1H)-Isoquinolinedicarboxylic acid, octahydro-, 2-(1,1-dimethylethyl) ester, [3S-(3α,4aβ,8aβ)]-
  • 2-(1,1-Dimethylethyl) (3S,4aS,8aS)-octahydro-2,3(1H)-isoquinolinedicarboxylate