B77
概要
| 表記: | 2-[(2-methoxy-5-methylphenoxy)methyl]pyridine |
| 組成式: | C14 H15 N O2 |
| 電荷: | 0 |
| 化学式量: | 229.274 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 11.02 | 2-[(2-methoxy-5-methylphenoxy)methyl]pyridine |
| OpenEye OEToolkits | 1.6.1 | 2-[(2-methoxy-5-methyl-phenoxy)methyl]pyridine |
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 | 11.02 | O(c1cc(ccc1OC)C)Cc2ncccc2 |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc(C)cc1OCc2ccccn2 |
| SMILES | CACTVS | 3.352 | COc1ccc(C)cc1OCc2ccccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc(c(c1)OCc2ccccn2)OC |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc(c(c1)OCc2ccccn2)OC |
| InChI | InChI | 1.03 | InChI=1S/C14H15NO2/c1-11-6-7-13(16-2)14(9-11)17-10-12-5-3-4-8-15-12/h3-9H,10H2,1-2H3 |
| InChIKey | InChI | 1.03 | AVXQTLSOXWQOHO-UHFFFAOYSA-N |
