種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | OC1(CNC(=O)c2ccc(O)c(F)c2)CCC(CC1)COc1ccccc1F |
InChI | InChI | 1.06 | InChI=1S/C21H23F2NO4/c22-16-3-1-2-4-19(16)28-12-14-7-9-21(27,10-8-14)13-24-20(26)15-5-6-18(25)17(23)11-15/h1-6,11,14,25,27H,7-10,12-13H2,(H,24,26)/t14-,21- |
InChIKey | InChI | 1.06 | GPSLYTIDVZDODP-HNSKJHPRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1F)C(=O)NC[C@@]2(O)CC[C@H](CC2)COc3ccccc3F |
SMILES | CACTVS | 3.385 | Oc1ccc(cc1F)C(=O)NC[C]2(O)CC[CH](CC2)COc3ccccc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)OCC2CCC(CC2)(CNC(=O)c3ccc(c(c3)F)O)O)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)OCC2CCC(CC2)(CNC(=O)c3ccc(c(c3)F)O)O)F |