W91
Summary
| Name: | 5-(3-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PROPYL)-3-METHYL ISOXAZOLE |
| Synonyms: | WIN56291 |
| Formula: | C16 H16 Cl2 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 355.216 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-{3-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]propyl}-3-methylisoxazole |
| OpenEye OEToolkits | 1.5.0 | 5-[3-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]propyl]-3-methyl-1,2-oxazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc3c(OCCCc1onc(c1)C)c(Cl)cc(C2=NCCO2)c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(CCCOc2c(Cl)cc(cc2Cl)C3=NCCO3)on1 |
| SMILES | CACTVS | 3.341 | Cc1cc(CCCOc2c(Cl)cc(cc2Cl)C3=NCCO3)on1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(on1)CCCOc2c(cc(cc2Cl)C3=NCCO3)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(on1)CCCOc2c(cc(cc2Cl)C3=NCCO3)Cl |
| InChI | InChI | 1.03 | InChI=1S/C16H16Cl2N2O3/c1-10-7-12(23-20-10)3-2-5-21-15-13(17)8-11(9-14(15)18)16-19-4-6-22-16/h7-9H,2-6H2,1H3 |
| InChIKey | InChI | 1.03 | TUGBWRGTMLOFAX-UHFFFAOYSA-N |
