1,1-Dimethylethyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

CAS Registry Number®

1256387-74-2
No image available.

CAS Name

1,1-Dimethylethyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

Molecular Formula

C18H22BrN3O2

Molecular Mass

392.29

Cite this Page

1,1-Dimethylethyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1256387-74-2 (retrieved 2024-08-22) (CAS RN: 1256387-74-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H22BrN3O2/c1-18(2,3)24-17(23)22-12-6-4-10(8-12)15(22)16-20-13-7-5-11(19)9-14(13)21-16/h5,7,9-10,12,15H,4,6,8H2,1-3H3,(H,20,21)/t10-,12+,15-/m0/s1

InChIKey

InChIKey=IODPTNKFQCJTSI-NVBFEUDRSA-N

SMILES

C(OC(C)(C)C)(=O)N1[C@@H]([C@@]2(C[C@]1(CC2)[H])[H])C=3NC=4C(N3)=CC(Br)=CC4

Canonical SMILES

O=C(OC(C)(C)C)N1C(C2=NC=3C=C(Br)C=CC3N2)C4CCC1C4

Other Names for this Substance

  • 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-bromo-1H-benzimidazol-2-yl)-, 1,1-dimethylethyl ester, (1R,3S,4S)-
  • 1,1-Dimethylethyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate