OXF
Summary
| Name: | 2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol |
| Synonyms: | ZK-756326 |
| Formula: | C21 H28 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 356.459 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H28N2O3/c24-14-16-25-15-13-22-9-11-23(12-10-22)18-19-5-4-8-21(17-19)26-20-6-2-1-3-7-20/h1-8,17,24H,9-16,18H2 |
| InChIKey | InChI | 1.06 | SHDFUNGIHDOLQM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCOCCN1CCN(CC1)Cc2cccc(Oc3ccccc3)c2 |
| SMILES | CACTVS | 3.385 | OCCOCCN1CCN(CC1)Cc2cccc(Oc3ccccc3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2cccc(c2)CN3CCN(CC3)CCOCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2cccc(c2)CN3CCN(CC3)CCOCCO |
