| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(C1COCCN1C(Cc2ccc(cc2)Oc3cc(C)c(cc3)C#N)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C21H20N2O5/c1-14-10-18(7-4-16(14)12-22)28-17-5-2-15(3-6-17)11-20(24)23-8-9-27-13-19(23)21(25)26/h2-7,10,19H,8-9,11,13H2,1H3,(H,25,26)/t19-/m1/s1 |
| InChIKey | InChI | 1.03 | AJUGJYIFDAVOIF-LJQANCHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(Oc2ccc(CC(=O)N3CCOC[C@@H]3C(O)=O)cc2)ccc1C#N |
| SMILES | CACTVS | 3.385 | Cc1cc(Oc2ccc(CC(=O)N3CCOC[CH]3C(O)=O)cc2)ccc1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOC[C@@H]3C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOCC3C(=O)O |
