Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(NC(c1cc(Cl)cc(Cl)c1)=O)(C(=O)O)CCC(C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C15H19Cl2NO3/c1-15(2,3)5-4-12(14(20)21)18-13(19)9-6-10(16)8-11(17)7-9/h6-8,12H,4-5H2,1-3H3,(H,18,19)(H,20,21)/t12-/m0/s1 |
InChIKey | InChI | 1.03 | GTMNLKRWZVHZAV-LBPRGKRZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(O)=O |
SMILES | CACTVS | 3.385 | CC(C)(C)CC[CH](NC(=O)c1cc(Cl)cc(Cl)c1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)CC[C@@H](C(=O)O)NC(=O)c1cc(cc(c1)Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)CCC(C(=O)O)NC(=O)c1cc(cc(c1)Cl)Cl |