| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ccc(Br)cc1)NCCCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H17BrN2O3/c14-10-6-4-9(5-7-10)12(17)16-8-2-1-3-11(15)13(18)19/h4-7,11H,1-3,8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | VZGABVAOPKKDKB-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCNC(=O)c1ccc(Br)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCNC(=O)c1ccc(Br)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)N)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C(=O)NCCCCC(C(=O)O)N)Br |
