E0J
概要
表記: | 2-[(4-methoxy-2-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 | 12.01 | 2-[(4-methoxy-2-methylphenoxy)methyl]pyridine |
OpenEye OEToolkits | 2.0.6 | 2-[(4-methoxy-2-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 | 12.01 | c1(ccc(c(C)c1)OCc2ccccn2)OC |
InChI | InChI | 1.03 | InChI=1S/C14H15NO2/c1-11-9-13(16-2)6-7-14(11)17-10-12-5-3-4-8-15-12/h3-9H,10H2,1-2H3 |
InChIKey | InChI | 1.03 | IJQMLIQZWDSRCW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(OCc2ccccn2)c(C)c1 |
SMILES | CACTVS | 3.385 | COc1ccc(OCc2ccccn2)c(C)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1OCc2ccccn2)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1OCc2ccccn2)OC |