Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(c1cc(cc(c1)Cl)Cl)OC(N4CCN(CCC(c3cc2OC(=O)Nc2cc3)=O)CC4)=O |
InChI | InChI | 1.03 | InChI=1S/C22H21Cl2N3O5/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/h1-2,9-12H,3-8,13H2,(H,25,29) |
InChIKey | InChI | 1.03 | JMSUDQYHPSNBSN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(Cl)cc(COC(=O)N2CCN(CC2)CCC(=O)c3ccc4NC(=O)Oc4c3)c1 |
SMILES | CACTVS | 3.385 | Clc1cc(Cl)cc(COC(=O)N2CCN(CC2)CCC(=O)c3ccc4NC(=O)Oc4c3)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc1C(=O)CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)OC(=O)N2 |
SMILES | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc1C(=O)CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)OC(=O)N2 |