A1IEY
Summary
| Name: | (5-chloranylpyridin-3-yl) 2-fluoranyl-4-phenylmethoxy-benzoate |
| Formula: | C19 H13 Cl F N O3 |
| Formal charge: | 0 |
| Formula weight: | 357.763 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5-chloranylpyridin-3-yl) 2-fluoranyl-4-phenylmethoxy-benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H13ClFNO3/c20-14-8-16(11-22-10-14)25-19(23)17-7-6-15(9-18(17)21)24-12-13-4-2-1-3-5-13/h1-11H,12H2 |
| InChIKey | InChI | 1.06 | KPTCFQSFRDOBIJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(OCc2ccccc2)ccc1C(=O)Oc3cncc(Cl)c3 |
| SMILES | CACTVS | 3.385 | Fc1cc(OCc2ccccc2)ccc1C(=O)Oc3cncc(Cl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COc2ccc(c(c2)F)C(=O)Oc3cc(cnc3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COc2ccc(c(c2)F)C(=O)Oc3cc(cnc3)Cl |
