Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C30H42N2O9/c1-5-22-23(19-28(35)32(11-13-37-2)12-14-38-3)29(25(34)20-24(22)33)30(36)21-6-7-26(27(18-21)39-4)41-17-10-31-8-15-40-16-9-31/h6-7,18,20,33-34H,5,8-17,19H2,1-4H3 |
InChIKey | InChI | 1.03 | VFUXSYAXEKYYMB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC |
SMILES | CACTVS | 3.385 | CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(cc(c(c1CC(=O)N(CCOC)CCOC)C(=O)c2ccc(c(c2)OC)OCCN3CCOCC3)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(cc(c(c1CC(=O)N(CCOC)CCOC)C(=O)c2ccc(c(c2)OC)OCCN3CCOCC3)O)O |