| Code/trivial namea | IUPAC name/SMILES notation/InChiKeyb | Structural formulac |
|---|---|---|
| Cyflufenamid 149‐(Z)‐FB | (Z)‐N‐[α‐(cyclopropylmethoxyimino)‐2,3‐difluoro‐6‐(trifluoromethyl)benzyl]‐2‐phenylacetamide FC(F)(F)c1ccc(F)c(F)c1C(\NC(=O)Cc1ccccc1)=N\OCC1CC1 ACMXQHFNODYQAT‐TWGOXAJXNA‐N |
|
| 149‐(E)‐FB | (E)‐N‐[α‐(cyclopropylmethoxyimino)‐2,3‐difluoro‐6‐ (trifluoromethyl)benzyl]‐2‐phenylacetamide FC(F)(F)c1ccc(F)c(F)c1C(/NC(=O)Cc1ccccc1)=N \OCC1CC1 ACMXQHFNODYQAT‐UHFFFAOYSA‐N |
|
| 149‐F | N’‐(cyclopropylmethoxy)‐2,3‐difluoro‐6‐(trifluoromethyl)benzene‐1‐carboximidamide N/C(=N\OCC1CC1)c1c(ccc(F)c1F)C(F)(F)F GATGRGDKTXQMNK‐UHFFFAOYSA‐N |
|
| 149‐F1 | 2,3‐difluoro‐6‐(trifluoromethyl)benzene‐1‐carboximidamide Fc1c(C(=N)N)c(ccc1F)C(F)(F)F JYSBNJJWTHMPOC‐UHFFFAOYSA‐N |
|
IUPAC: International Union of Pure and Applied Chemistry; SMILES: simplified molecular‐input line‐entry system; InChiKey: International Chemical Identifier Key.
The metabolite name in bold is the name used in the conclusion.
ACD/Name 2020.2.1 ACD/Labs 2020 Release (File version N15E41, Build 116563, 15 June 2020).
ACD/ChemSketch 2020.2.1 ACD/Labs 2020 Release (File version C25H41, Build 121153, 22 March 2021).