O2R
概要
| 表記: | 2-(2-butoxy-5-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide |
| 組成式: | C18 H21 Cl N2 O2 |
| 電荷: | 0 |
| 化学式量: | 332.825 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 | 2-(2-butoxy-5-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(2-butoxy-5-chloranyl-phenyl)-~{N}-(4-methylpyridin-3-yl)ethanamide |
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 | O=C(Nc1cnccc1C)Cc1cc(Cl)ccc1OCCCC |
| InChI | InChI | 1.06 | InChI=1S/C18H21ClN2O2/c1-3-4-9-23-17-6-5-15(19)10-14(17)11-18(22)21-16-12-20-8-7-13(16)2/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,21,22) |
| InChIKey | InChI | 1.06 | BNLQGZVZNCOJKF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCOc1ccc(Cl)cc1CC(=O)Nc2cnccc2C |
| SMILES | CACTVS | 3.385 | CCCCOc1ccc(Cl)cc1CC(=O)Nc2cnccc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCOc1ccc(cc1CC(=O)Nc2cnccc2C)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCOc1ccc(cc1CC(=O)Nc2cnccc2C)Cl |
