EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:104089 - 4-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-furanyl]benzoic acid methyl ester
| Formula | C21H21NO4 |
| Net Charge | 0 |
| Average Mass | 351.402 |
| Monoisotopic Mass | 351.14706 |
| SMILES | COC(=O)c1ccc(-c2ccc(CNCC(O)c3ccccc3)o2)cc1 |
| InChI | InChI=1S/C21H21NO4/c1-25-21(24)17-9-7-16(8-10-17)20-12-11-18(26-20)13-22-14-19(23)15-5-3-2-4-6-15/h2-12,19,22-23H,13-14H2,1H3 |
| InChIKey | IZCMAOLFFOUIRG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-furanyl]benzoic acid methyl ester (CHEBI:104089) is a benzoate ester (CHEBI:36054) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15447 | LINCS |