| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1 |
| InChIKey | InChI | 1.06 | OUJTZYPIHDYQMC-LJQANCHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC([C@H](Oc1nc(C)cc(C)n1)C(O)=O)(c2ccccc2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | COC([CH](Oc1nc(C)cc(C)n1)C(O)=O)(c2ccccc2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(n1)O[C@H](C(=O)O)C(c2ccccc2)(c3ccccc3)OC)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(n1)OC(C(=O)O)C(c2ccccc2)(c3ccccc3)OC)C |
