Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COC(c1c(O)cc(O)c(C(=O)OC)c1CCc2nccn2Cc3ccccc3)=O |
InChI | InChI | 1.03 | InChI=1S/C22H22N2O6/c1-29-21(27)19-15(20(22(28)30-2)17(26)12-16(19)25)8-9-18-23-10-11-24(18)13-14-6-4-3-5-7-14/h3-7,10-12,25-26H,8-9,13H2,1-2H3 |
InChIKey | InChI | 1.03 | RQHNBYGWOOLLIS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1c(O)cc(O)c(C(=O)OC)c1CCc2nccn2Cc3ccccc3 |
SMILES | CACTVS | 3.385 | COC(=O)c1c(O)cc(O)c(C(=O)OC)c1CCc2nccn2Cc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)C(=O)OC)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)C(=O)OC)O)O |