| SpectraBase Spectrum ID |
3CKpK5dikAL |
| Name |
3-Ethyl-7-{1-oxo-2-[2-(2,2,2-trichlorethoxycarbonyl)aminophenyl]ethyl}-5-azabicyclo[2.2.2]oct-2-en-5-carbonsaure-methylester |
| CAS Registry Number |
104737-45-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H25Cl3N2O5 |
| InChI |
InChI=1S/C22H25Cl3N2O5/c1-3-13-8-15-11-27(21(30)31-2)18(13)10-16(15)19(28)9-14-6-4-5-7-17(14)26-20(29)32-12-22(23,24)25/h4-8,15-16,18H,3,9-12H2,1-2H3,(H,26,29)/t15-,16?,18+/m0/s1 |
| InChIKey |
WRPIENCKELGWBT-NANQTSIFSA-N |
| Molecular Weight |
503.810 g/mol |
| SMILES |
N(C(=O)OCC(Cl)(Cl)Cl)c1c(CC(C2[C@@]3(CN([C@@](C(CC)=C3)(C2)[H])C(=O)OC)[H])=O)cccc1 |
| SPLASH |
splash10-014i-0900000000-84e986b4b07bd7b6ef0e |
| Source of Spectrum |
H-68-1843-20 |
| Synonyms |
Methyl 6-ethyl-8-[(2-{[(2,2,2-trichloroethoxy)carbonyl]amino}phenyl)acetyl]-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate |
| Wiley ID |
1399142 |
![3-Ethyl-7-{1-oxo-2-[2-(2,2,2-trichlorethoxycarbonyl)aminophenyl]ethyl}-5-azabicyclo[2.2.2]oct-2-en-5-carbonsaure-methylester](/api/spectrum/3CKpK5dikAL/structure.png?h=300&w=458 "3-Ethyl-7-{1-oxo-2-[2-(2,2,2-trichlorethoxycarbonyl)aminophenyl]ethyl}-5-azabicyclo[2.2.2]oct-2-en-5-carbonsaure-methylester")
