rel-1,1-Dimethylethyl (4aR,9bS)-8-chloro-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indole-2-carboxylate

CAS Registry Number®

1250994-53-6
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CAS Name

rel-1,1-Dimethylethyl (4aR,9bS)-8-chloro-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indole-2-carboxylate

Molecular Formula

C16H21ClN2O2

Molecular Mass

308.80

Cite this Page

rel-1,1-Dimethylethyl (4aR,9bS)-8-chloro-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indole-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1250994-53-6 (retrieved 2024-08-29) (CAS RN: 1250994-53-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C16H21ClN2O2/c1-16(2,3)21-15(20)19-7-6-14-12(9-19)11-8-10(17)4-5-13(11)18-14/h4-5,8,12,14,18H,6-7,9H2,1-3H3/t12-,14-/s2

InChIKey

InChIKey=NUSSODRBWFEQDM-QSKWDSTQNA-N

SMILES

C(OC(C)(C)C)(=O)N1C[C@]2(C=3C(N[C@]2(CC1)[H])=CC=C(Cl)C3)[H]

Canonical SMILES

O=C(OC(C)(C)C)N1CCC2NC3=CC=C(Cl)C=C3C2C1

Other Names for this Substance

  • 2H-Pyrido[4,3-b]indole-2-carboxylic acid, 8-chloro-1,3,4,4a,5,9b-hexahydro-, 1,1-dimethylethyl ester, (4aR,9bS)-rel-
  • rel-1,1-Dimethylethyl (4aR,9bS)-8-chloro-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indole-2-carboxylate