| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H26N4O7/c1-22(2,3)33-21(31)25(8-10-32-11-9-27)18-6-7-26-19(24-18)16(13-23-26)14-4-5-15(20(29)30)17(28)12-14/h4-7,12-13,27-28H,8-11H2,1-3H3,(H,29,30) |
| InChIKey | InChI | 1.03 | DBCKRCZJYUIKNW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)N(CCOCCO)c1ccn2ncc(c3ccc(C(O)=O)c(O)c3)c2n1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)N(CCOCCO)c1ccn2ncc(c3ccc(C(O)=O)c(O)c3)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)N(CCOCCO)c1ccn2c(n1)c(cn2)c3ccc(c(c3)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)N(CCOCCO)c1ccn2c(n1)c(cn2)c3ccc(c(c3)O)C(=O)O |
