77L
概要
| 表記: | 5-(4-fluorophenyl)-2,3-dihydroxy-N-(2-hydroxyethyl)benzamide |
| 組成式: | C15 H14 F N O4 |
| 電荷: | 0 |
| 化学式量: | 291.274 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 4'-fluoro-4,5-dihydroxy-N-(2-hydroxyethyl)[1,1'-biphenyl]-3-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 5-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,3-bis(oxidanyl)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 |
| SMILES | ACDLabs | 12.01 | c2c(c1ccc(F)cc1)cc(c(c2C(=O)NCCO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H14FNO4/c16-11-3-1-9(2-4-11)10-7-12(14(20)13(19)8-10)15(21)17-5-6-18/h1-4,7-8,18-20H,5-6H2,(H,17,21) |
| InChIKey | InChI | 1.03 | ASGZSLFHJDBZNV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCNC(=O)c1cc(cc(O)c1O)c2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | OCCNC(=O)c1cc(cc(O)c1O)c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCO)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCO)F |
