S57
Summary
| Name: | 1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEXYL]-IMIDAZOLE |
| Formula: | C16 H21 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 308.803 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1H-imidazole |
| OpenEye OEToolkits | 1.5.0 | 1-[6-(2-chloro-4-methoxy-phenoxy)hexyl]imidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc2cc(OC)ccc2OCCCCCCn1ccnc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(OCCCCCCn2ccnc2)c(Cl)c1 |
| SMILES | CACTVS | 3.341 | COc1ccc(OCCCCCCn2ccnc2)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(c(c1)Cl)OCCCCCCn2ccnc2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(c(c1)Cl)OCCCCCCn2ccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C16H21ClN2O2/c1-20-14-6-7-16(15(17)12-14)21-11-5-3-2-4-9-19-10-8-18-13-19/h6-8,10,12-13H,2-5,9,11H2,1H3 |
| InChIKey | InChI | 1.03 | UKVVEWLDHJDSNJ-UHFFFAOYSA-N |
