種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C22H14ClF3N2O4/c23-16-4-1-3-15(22(24,25)26)18(16)19-14(20(32-28-19)17-5-2-10-27-17)11-31-13-8-6-12(7-9-13)21(29)30/h1-10,27H,11H2,(H,29,30) |
InChIKey | InChI | 1.03 | RSKUYRRDRPIYIT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F)F)c4[nH]ccc4)cc1 |
SMILES | CACTVS | 3.385 | OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F)F)c4[nH]ccc4)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)c2c(c(on2)c3ccc[nH]3)COc4ccc(cc4)C(=O)O)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)c2c(c(on2)c3ccc[nH]3)COc4ccc(cc4)C(=O)O)C(F)(F)F |