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CHEBI:174315 - Cocaethylene
| Formula | C18H23NO4 |
| Net Charge | 0 |
| Average Mass | 317.385 |
| Monoisotopic Mass | 317.16271 |
| SMILES | [H][C@]12CC[C@]([H])([C@@H](C(=O)OCC)[C@@H](OC(=O)c3ccccc3)C1)N2C |
| InChI | InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1 |
| InChIKey | NMPOSNRHZIWLLL-XUWVNRHRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cocaethylene (CHEBI:174315) is a benzoate ester (CHEBI:36054) |
| IUPAC Name |
|---|
| ethyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |