Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(NC(=O)CC(C)(C)CC(=O)O)cc(Cl)c1 |
InChI | InChI | 1.06 | InChI=1S/C13H15Cl2NO3/c1-13(2,7-12(18)19)6-11(17)16-10-4-8(14)3-9(15)5-10/h3-5H,6-7H2,1-2H3,(H,16,17)(H,18,19) |
InChIKey | InChI | 1.06 | RHQOVBPVXKPJBH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(CC(O)=O)CC(=O)Nc1cc(Cl)cc(Cl)c1 |
SMILES | CACTVS | 3.385 | CC(C)(CC(O)=O)CC(=O)Nc1cc(Cl)cc(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(CC(=O)Nc1cc(cc(c1)Cl)Cl)CC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(CC(=O)Nc1cc(cc(c1)Cl)Cl)CC(=O)O |