| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(=O)O)(N)C(c1cn(c2c1cccc2)C(C)(C)C3CO3)O |
| InChI | InChI | 1.03 | InChI=1S/C16H20N2O4/c1-16(2,12-8-22-12)18-7-10(14(19)13(17)15(20)21)9-5-3-4-6-11(9)18/h3-7,12-14,19H,8,17H2,1-2H3,(H,20,21)/t12-,13-,14+/m0/s1 |
| InChIKey | InChI | 1.03 | RPWCRDPTKUYOFA-MELADBBJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)([C@@H]1CO1)n2cc([C@@H](O)[C@H](N)C(O)=O)c3ccccc23 |
| SMILES | CACTVS | 3.385 | CC(C)([CH]1CO1)n2cc([CH](O)[CH](N)C(O)=O)c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)([C@@H]1CO1)n2cc(c3c2cccc3)[C@H]([C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(C1CO1)n2cc(c3c2cccc3)C(C(C(=O)O)N)O |
