| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NO)COc1ccc(cc1C)C(c2ccc(OCC(O)C(C)(C)C)c(c2)C)(CC)CC |
| InChI | InChI | 1.03 | InChI=1S/C27H39NO5/c1-8-27(9-2,21-11-13-23(19(4)15-21)33-17-25(30)28-31)20-10-12-22(18(3)14-20)32-16-24(29)26(5,6)7/h10-15,24,29,31H,8-9,16-17H2,1-7H3,(H,28,30)/t24-/m0/s1 |
| InChIKey | InChI | 1.03 | HLEDBIQBAUIWNJ-DEOSSOPVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c2ccc(OCC(=O)NO)c(C)c2 |
| SMILES | CACTVS | 3.370 | CCC(CC)(c1ccc(OC[CH](O)C(C)(C)C)c(C)c1)c2ccc(OCC(=O)NO)c(C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC(CC)(c1ccc(c(c1)C)OCC(C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO |
