WM8
Summary
| Name: | 2-(4-chloranyl-3,5-dimethyl-phenoxy)-~{N}-propan-2-yl-ethanamide |
| Formula: | C13 H18 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 255.741 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(4-chloranyl-3,5-dimethyl-phenoxy)-~{N}-propan-2-yl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H18ClNO2/c1-8(2)15-12(16)7-17-11-5-9(3)13(14)10(4)6-11/h5-6,8H,7H2,1-4H3,(H,15,16) |
| InChIKey | InChI | 1.06 | TXTLOPLGMCQMHP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC(=O)COc1cc(C)c(Cl)c(C)c1 |
| SMILES | CACTVS | 3.385 | CC(C)NC(=O)COc1cc(C)c(Cl)c(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1Cl)C)OCC(=O)NC(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1Cl)C)OCC(=O)NC(C)C |
