7UQ
Summary
| Name: | 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal |
| Formula: | C15 H12 F3 N O2 |
| Formal charge: | 0 |
| Formula weight: | 295.256 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H12F3NO2/c16-12-7-10(4-2-6-20)14(13(17)8-12)21-9-11-3-1-5-19-15(11)18/h1,3,5-8H,2,4,9H2 |
| InChIKey | InChI | 1.03 | JDBPMPUNUPHSOJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(F)c(OCc2cccnc2F)c(CCC=O)c1 |
| SMILES | CACTVS | 3.385 | Fc1cc(F)c(OCc2cccnc2F)c(CCC=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(nc1)F)COc2c(cc(cc2F)F)CCC=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(nc1)F)COc2c(cc(cc2F)F)CCC=O |
