B78
概要
表記: | 4-[(5-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 | 11.02 | 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine |
OpenEye OEToolkits | 1.6.1 | 4-[(5-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 | 11.02 | O(c1cc(OC)ccc1C)Cc2ccncc2 |
SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc(C)c(OCc2ccncc2)c1 |
SMILES | CACTVS | 3.352 | COc1ccc(C)c(OCc2ccncc2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1OCc2ccncc2)OC |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1OCc2ccncc2)OC |
InChI | InChI | 1.03 | InChI=1S/C14H15NO2/c1-11-3-4-13(16-2)9-14(11)17-10-12-5-7-15-8-6-12/h3-9H,10H2,1-2H3 |
InChIKey | InChI | 1.03 | MBHBRRBLXCXQKV-UHFFFAOYSA-N |