| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H15ClN2O5/c1-10(12-4-2-3-6-19-12)24-14-9-15-13(8-11(14)18)20(17(23)25-15)7-5-16(21)22/h2-4,6,8-10H,5,7H2,1H3,(H,21,22)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | PVGOQRJICUIPTG-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Oc1cc2OC(=O)N(CCC(O)=O)c2cc1Cl)c3ccccn3 |
| SMILES | CACTVS | 3.385 | C[CH](Oc1cc2OC(=O)N(CCC(O)=O)c2cc1Cl)c3ccccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](c1ccccn1)Oc2cc3c(cc2Cl)N(C(=O)O3)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1ccccn1)Oc2cc3c(cc2Cl)N(C(=O)O3)CCC(=O)O |
