| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1c(ccc2OCOc12)CC(CC(C)C)CNC(=O)c3ccncc3 |
| InChI | InChI | 1.03 | InChI=1S/C21H24N2O5/c1-13(2)9-14(11-23-20(24)15-5-7-22-8-6-15)10-16-3-4-17-19(28-12-27-17)18(16)21(25)26/h3-8,13-14H,9-12H2,1-2H3,(H,23,24)(H,25,26)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | MNUFCQCGIBAEIV-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](CNC(=O)c1ccncc1)Cc2ccc3OCOc3c2C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](CNC(=O)c1ccncc1)Cc2ccc3OCOc3c2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccncc3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)CC(Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccncc3 |
