| PDB CCD ID: | A1D9Y |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H23 N O3 |
| InChI: | 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: | CBQGYUDMJHNJBX-OALUTQOASA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CCOc1ccccc1O[C@H]([C@@H]2CNCCO2)c3ccccc3 | | OpenEye OEToolkits 2.0.7 | CCOc1ccccc1OC(c2ccccc2)C3CNCCO3 | | OpenEye OEToolkits 2.0.7 | CCOc1ccccc1O[C@@H](c2ccccc2)[C@@H]3CNCCO3 | | CACTVS 3.385 | CCOc1ccccc1O[CH]([CH]2CNCCO2)c3ccccc3 |
|
| Name: | (2~{S})-2-[(~{S})-(2-ethoxyphenoxy)-phenyl-methyl]morpholine;
Esreboxetine |
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