OMW
概要
表記: | 2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide |
組成式: | C15 H10 F5 N O2 |
電荷: | 0 |
化学式量: | 331.237 Da |
分子種別: | non-polymer |
化合物名
プログラム | バージョン | 表記 |
OpenEye OEToolkits | 2.0.7 | 2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide |
化合物記述子(線形表記)
種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C15H10F5NO2/c16-10-4-5-11(13(17)12(10)14(21)22)23-7-8-2-1-3-9(6-8)15(18,19)20/h1-6H,7H2,(H2,21,22) |
InChIKey | InChI | 1.03 | LRFNHIJSGVXHPW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1c(F)ccc(OCc2cccc(c2)C(F)(F)F)c1F |
SMILES | CACTVS | 3.385 | NC(=O)c1c(F)ccc(OCc2cccc(c2)C(F)(F)F)c1F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(F)(F)F)COc2ccc(c(c2F)C(=O)N)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(F)(F)F)COc2ccc(c(c2F)C(=O)N)F |