EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H17ClF3NO4 |
| Net Charge | 0 |
| Average Mass | 403.784 |
| Monoisotopic Mass | 403.07982 |
| SMILES | COc1cc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC |
| InChI | InChI=1S/C18H17ClF3NO4/c1-25-14-6-10(7-15(26-2)17(14)27-3)8-16(24)23-11-4-5-13(19)12(9-11)18(20,21)22/h4-7,9H,8H2,1-3H3,(H,23,24) |
| InChIKey | ZWBAQFXYMXGBEA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide (CHEBI:105026) is a (trifluoromethyl)benzenes (CHEBI:83565) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16389 | LINCS |