| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1cc(OC)c(OC)cc1Br)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C16H21BrN2O4/c1-22-13-6-11(12(17)8-14(13)23-2)7-15(20)19-5-3-4-10(9-19)16(18)21/h6,8,10H,3-5,7,9H2,1-2H3,(H2,18,21)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | ZBONZJXUIMFIHW-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(Br)c(CC(=O)N2CCC[C@@H](C2)C(N)=O)cc1OC |
| SMILES | CACTVS | 3.385 | COc1cc(Br)c(CC(=O)N2CCC[CH](C2)C(N)=O)cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1cc(c(cc1OC)Br)CC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1cc(c(cc1OC)Br)CC(=O)N2CCCC(C2)C(=O)N |
