EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:114246 - 4-tert-butylbenzoic acid [2-[(2-methoxy-3-dibenzofuranyl)amino]-2-oxoethyl] ester
| Formula | C26H25NO5 |
| Net Charge | 0 |
| Average Mass | 431.488 |
| Monoisotopic Mass | 431.17327 |
| SMILES | COc1cc2c(cc1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1)oc1ccccc12 |
| InChI | InChI=1S/C26H25NO5/c1-26(2,3)17-11-9-16(10-12-17)25(29)31-15-24(28)27-20-14-22-19(13-23(20)30-4)18-7-5-6-8-21(18)32-22/h5-14H,15H2,1-4H3,(H,27,28) |
| InChIKey | FUBUELHMJDMBQJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-tert-butylbenzoic acid [2-[(2-methoxy-3-dibenzofuranyl)amino]-2-oxoethyl] ester (CHEBI:114246) is a dibenzofurans (CHEBI:38922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25707 | LINCS |