Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COC(=O)c3c(cc(c(c3CCc2nccn2Cc1ccccc1)Cl)O)O |
InChI | InChI | 1.03 | InChI=1S/C20H19ClN2O4/c1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13/h2-6,9-11,24-25H,7-8,12H2,1H3 |
InChIKey | InChI | 1.03 | NCWIQXPFJORNJP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1c(O)cc(O)c(Cl)c1CCc2nccn2Cc3ccccc3 |
SMILES | CACTVS | 3.385 | COC(=O)c1c(O)cc(O)c(Cl)c1CCc2nccn2Cc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)Cl)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)Cl)O)O |