| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(Cc1ccccc1)Cc2cc(c(OCCC)cc2)CNC(=O)c4ccc(c3ncccn3)cc4 |
| InChI | InChI | 1.03 | InChI=1S/C31H31N3O4/c1-2-17-38-28-14-9-23(19-26(31(36)37)18-22-7-4-3-5-8-22)20-27(28)21-34-30(35)25-12-10-24(11-13-25)29-32-15-6-16-33-29/h3-16,20,26H,2,17-19,21H2,1H3,(H,34,35)(H,36,37)/t26-/m1/s1 |
| InChIKey | InChI | 1.03 | DEAVJKJURZRSJV-AREMUKBSSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c3ccc(cc3)c4ncccn4 |
| SMILES | CACTVS | 3.370 | CCCOc1ccc(C[CH](Cc2ccccc2)C(O)=O)cc1CNC(=O)c3ccc(cc3)c4ncccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C[C@@H](Cc4ccccc4)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)CC(Cc4ccccc4)C(=O)O |
