IU0
Summary
| Name: | (1~{R},9~{R},10~{S})-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol |
| Formula: | C11 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 191.226 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},9~{R},10~{S})-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H13NO2/c13-10-6-14-11-5-9(10)12-8-4-2-1-3-7(8)11/h1-4,9-13H,5-6H2/t9-,10-,11-/m1/s1 |
| InChIKey | InChI | 1.06 | JEDSYLJTJIINOF-GMTAPVOTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CO[C@@H]2C[C@H]1Nc3ccccc23 |
| SMILES | CACTVS | 3.385 | O[CH]1CO[CH]2C[CH]1Nc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[C@H]3C[C@@H](N2)[C@@H](CO3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C3CC(N2)C(CO3)O |
