| PDB CCD ID: | A1ABY |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H20 N2 O3 |
| InChI: | InChI=1S/C15H20N2O3/c1-10(18)17-9-14(20-15-4-2-3-7-16-15)12-8-11(17)5-6-13(12)19/h2-4,7,11-14,19H,5-6,8-9H2,1H3/t11-,12-,13+,14-/m0/s1 |
| InChIKey: | FEMVTOSQVHQYPQ-FQUUOJAGSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(=O)N1C[CH](Oc2ccccn2)[CH]3C[CH]1CC[CH]3O | | CACTVS 3.385 | CC(=O)N1C[C@H](Oc2ccccn2)[C@H]3C[C@@H]1CC[C@H]3O | | OpenEye OEToolkits 2.0.7 | CC(=O)N1C[C@@H]([C@H]2C[C@@H]1CC[C@H]2O)Oc3ccccn3 | | ACDLabs 12.01 | CC(=O)N1CC(Oc2ccccn2)C2CC1CCC2O | | OpenEye OEToolkits 2.0.7 | CC(=O)N1CC(C2CC1CCC2O)Oc3ccccn3 |
|
| Name: | 1-{(1S,4R,5S,6R)-6-hydroxy-4-[(pyridin-2-yl)oxy]-2-azabicyclo[3.3.1]nonan-2-yl}ethan-1-one |
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