DMC
概要
| 表記: | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-2-METHYL-PROPIONIC ACID |
| 別名: | PARA-DIETHYLAMINO-O-HYDROXY-ALPHA-METHYL CINNAMIC ACID |
| 組成式: | C14 H19 N O3 |
| 電荷: | 0 |
| 化学式量: | 249.306 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | (2E)-3-[4-(diethylamino)-2-hydroxyphenyl]-2-methylprop-2-enoic acid |
| OpenEye OEToolkits | 1.5.0 | (E)-3-(4-diethylamino-2-hydroxy-phenyl)-2-methyl-prop-2-enoic acid |
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 | 10.04 | O=C(O)/C(=C/c1ccc(cc1O)N(CC)CC)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CCN(CC)c1ccc(/C=C(C)/C(O)=O)c(O)c1 |
| SMILES | CACTVS | 3.341 | CCN(CC)c1ccc(C=C(C)C(O)=O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCN(CC)c1ccc(c(c1)O)\C=C(/C)\C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCN(CC)c1ccc(c(c1)O)C=C(C)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H19NO3/c1-4-15(5-2)12-7-6-11(13(16)9-12)8-10(3)14(17)18/h6-9,16H,4-5H2,1-3H3,(H,17,18)/b10-8+ |
| InChIKey | InChI | 1.03 | JAEWDFYDSACHDN-CSKARUKUSA-N |
