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

CAS Registry Number®

1251021-98-3

CAS Name

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

Molecular Formula

C16H22N2O2

Molecular Mass

274.36

Cite this Page

rel-1,1-Dimethylethyl (4aR,9bS)-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=1251021-98-3 (retrieved 2024-11-23) (CAS RN: 1251021-98-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C16H22N2O2/c1-16(2,3)20-15(19)18-9-8-14-12(10-18)11-6-4-5-7-13(11)17-14/h4-7,12,14,17H,8-10H2,1-3H3/t12-,14-/s2

InChIKey

InChIKey=ZYHWMEDAZOEDFU-QSKWDSTQNA-N

SMILES

C(OC(C)(C)C)(=O)N1C[C@]2(C=3C(N[C@]2(CC1)[H])=CC=CC3)[H]

Canonical SMILES

O=C(OC(C)(C)C)N1CCC2NC=3C=CC=CC3C2C1

Other Names for this Substance

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

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