VW6
Summary
| Name: | 4-[2-[6-[2-[2-(2-fluoranylethoxy)ethoxy]ethoxy]pyridin-3-yl]ethyl]-~{N}-methyl-aniline |
| Formula: | C20 H27 F N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 362.438 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2-[6-[2-[2-(2-fluoranylethoxy)ethoxy]ethoxy]pyridin-3-yl]ethyl]-~{N}-methyl-aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H27FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h4-9,16,22H,2-3,10-15H2,1H3 |
| InChIKey | InChI | 1.06 | MEMFJEKYDDUGHS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1ccc(CCc2ccc(OCCOCCOCCF)nc2)cc1 |
| SMILES | CACTVS | 3.385 | CNc1ccc(CCc2ccc(OCCOCCOCCF)nc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1ccc(cc1)CCc2ccc(nc2)OCCOCCOCCF |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1ccc(cc1)CCc2ccc(nc2)OCCOCCOCCF |
