Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COC(c1c(c(c(cc1O)O)Cl)CCc2n(ccn2)Cc3oc(cc3)Cl)=O |
InChI | InChI | 1.03 | InChI=1S/C18H16Cl2N2O5/c1-26-18(25)16-11(17(20)13(24)8-12(16)23)3-5-15-21-6-7-22(15)9-10-2-4-14(19)27-10/h2,4,6-8,23-24H,3,5,9H2,1H3 |
InChIKey | InChI | 1.03 | HIYQDMHJUHUDDN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1c(O)cc(O)c(Cl)c1CCc2nccn2Cc3oc(Cl)cc3 |
SMILES | CACTVS | 3.385 | COC(=O)c1c(O)cc(O)c(Cl)c1CCc2nccn2Cc3oc(Cl)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(o3)Cl)Cl)O)O |
SMILES | OpenEye OEToolkits | 2.0.4 | COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(o3)Cl)Cl)O)O |