EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H31F3N2O2 |
| Net Charge | 0 |
| Average Mass | 436.518 |
| Monoisotopic Mass | 436.23376 |
| SMILES | OC(COc1ccc(CNCCc2ccc(C(F)(F)F)cc2)cc1)CN1CCCCC1 |
| InChI | InChI=1S/C24H31F3N2O2/c25-24(26,27)21-8-4-19(5-9-21)12-13-28-16-20-6-10-23(11-7-20)31-18-22(30)17-29-14-2-1-3-15-29/h4-11,22,28,30H,1-3,12-18H2 |
| InChIKey | RHHUEMKHXMZVIG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(1-piperidinyl)-3-[4-[[2-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenoxy]-2-propanol (CHEBI:107444) is a (trifluoromethyl)benzenes (CHEBI:83565) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18799 | LINCS |