| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C1OC(CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2 |
| SMILES | CACTVS | 3.341 | CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCOCC3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCOCC3 |
| InChI | InChI | 1.03 | InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | TYZROVQLWOKYKF-ZDUSSCGKSA-N |
