Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc2cc(NC(=O)Nc1ccc(OC(C(=O)O)(C)C)cc1)cc(Cl)c2 |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(Oc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(O)=O |
SMILES | CACTVS | 3.341 | CC(C)(Oc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C17H16Cl2N2O4/c1-17(2,15(22)23)25-14-5-3-12(4-6-14)20-16(24)21-13-8-10(18)7-11(19)9-13/h3-9H,1-2H3,(H,22,23)(H2,20,21,24) |
InChIKey | InChI | 1.03 | OYJPTSMWFKGZJM-UHFFFAOYSA-N |