種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C2CN(CCCC(c1ccc(cc1)F)=O)CCC2(Cc3ccc(cc3)F)O |
InChI | InChI | 1.03 | InChI=1S/C22H25F2NO2/c23-19-7-3-17(4-8-19)16-22(27)11-14-25(15-12-22)13-1-2-21(26)18-5-9-20(24)10-6-18/h3-10,27H,1-2,11-16H2 |
InChIKey | InChI | 1.03 | IYFJRQNDVZAPSQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)Cc3ccc(F)cc3 |
SMILES | CACTVS | 3.385 | OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)Cc3ccc(F)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O)F |