| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H21BrClN3O4/c1-10(23)15(20)17(25)26-6-4-2-3-5-22-9-21-14-8-12(18)13(19)7-11(14)16(22)24/h7-10,15,23H,2-6,20H2,1H3/t10-,15+/m1/s1 |
| InChIKey | InChI | 1.03 | STFFHZKFSKKMRC-BMIGLBTASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)[C@H](N)C(=O)OCCCCCN1C=Nc2cc(Br)c(Cl)cc2C1=O |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH](N)C(=O)OCCCCCN1C=Nc2cc(Br)c(Cl)cc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]([C@@H](C(=O)OCCCCCN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C(=O)OCCCCCN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O |
