A1D9Y
Summary
| Name: | (2~{S})-2-[(~{S})-(2-ethoxyphenoxy)-phenyl-methyl]morpholine |
| Synonyms: | Esreboxetine |
| Formula: | C19 H23 N O3 |
| Formal charge: | 0 |
| Formula weight: | 313.391 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[(~{S})-(2-ethoxyphenoxy)-phenyl-methyl]morpholine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1 |
| InChIKey | InChI | 1.06 | CBQGYUDMJHNJBX-OALUTQOASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccccc1O[C@H]([C@@H]2CNCCO2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CCOc1ccccc1O[CH]([CH]2CNCCO2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1ccccc1O[C@@H](c2ccccc2)[C@@H]3CNCCO3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccccc1OC(c2ccccc2)C3CNCCO3 |
