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
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CAS Name
1,1-Dimethylethyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylateMolecular Formula
C18H22BrN3O2Molecular Mass
392.29Cite 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 ) (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