| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C27H26N2O4/c1-27(2,16-28)21-10-17(14-32-24-6-4-3-5-19(24)13-26(30)31)9-20(11-21)18-7-8-25-22(12-18)23(29)15-33-25/h3-12,23H,13-15,29H2,1-2H3,(H,30,31)/t23-/m1/s1 |
| InChIKey | InChI | 1.03 | SRKDCGUSWAONMJ-HSZRJFAPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C#N)c1cc(COc2ccccc2CC(O)=O)cc(c1)c3ccc4OC[C@@H](N)c4c3 |
| SMILES | CACTVS | 3.385 | CC(C)(C#N)c1cc(COc2ccccc2CC(O)=O)cc(c1)c3ccc4OC[CH](N)c4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C#N)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)COc4ccccc4CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C#N)c1cc(cc(c1)c2ccc3c(c2)C(CO3)N)COc4ccccc4CC(=O)O |
