Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3cccc(CC(N2C(c1c(cc(c(Cl)c1)Cl)C2=O)=O)C(=O)O)c3 |
InChI | InChI | 1.03 | InChI=1S/C17H11Cl2NO4/c18-12-7-10-11(8-13(12)19)16(22)20(15(10)21)14(17(23)24)6-9-4-2-1-3-5-9/h1-5,7-8,14H,6H2,(H,23,24)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | MYKVEESSMOYIFU-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H](Cc1ccccc1)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O |
SMILES | CACTVS | 3.385 | OC(=O)[CH](Cc1ccccc1)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C[C@H](C(=O)O)N2C(=O)c3cc(c(cc3C2=O)Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CC(C(=O)O)N2C(=O)c3cc(c(cc3C2=O)Cl)Cl |