| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(C(=N\OCCC)\C)Cc3ccc(OCc1nc(oc1C)c2ccccc2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCO/N=C(C)/[C@@H](Cc1ccc(OCc2nc(oc2C)c3ccccc3)cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | CCCON=C(C)[CH](Cc1ccc(OCc2nc(oc2C)c3ccccc3)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCO/N=C(\C)/[C@@H](Cc1ccc(cc1)OCc2c(oc(n2)c3ccccc3)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCON=C(C)C(Cc1ccc(cc1)OCc2c(oc(n2)c3ccccc3)C)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C25H28N2O5/c1-4-14-31-27-17(2)22(25(28)29)15-19-10-12-21(13-11-19)30-16-23-18(3)32-24(26-23)20-8-6-5-7-9-20/h5-13,22H,4,14-16H2,1-3H3,(H,28,29)/b27-17+/t22-/m1/s1 |
| InChIKey | InChI | 1.03 | YAWURVGPVQWWHE-UJUJBVAOSA-N |
