Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H23Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12,19,28H,3-8,13H2,(H,25,29)/t19-/m1/s1 |
InChIKey | InChI | 1.03 | JESONUJDGUUYLO-LJQANCHMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](CCN1CCN(CC1)C(=O)OCc2cc(Cl)cc(Cl)c2)c3ccc4NC(=O)Oc4c3 |
SMILES | CACTVS | 3.385 | O[CH](CCN1CCN(CC1)C(=O)OCc2cc(Cl)cc(Cl)c2)c3ccc4NC(=O)Oc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1[C@@H](CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)O)OC(=O)N2 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1C(CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)O)OC(=O)N2 |