WEN
概要
| 表記: | [5-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-4-yl]acetic acid |
| 組成式: | C13 H19 N O3 |
| 電荷: | 0 |
| 化学式量: | 237.295 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 | [5-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-4-yl]acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[5-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-4-yl]ethanoic 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 | 12.01 | O=C(O)Cc1nc(oc1C)C1(C)CCCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C13H19NO3/c1-9-10(8-11(15)16)14-12(17-9)13(2)6-4-3-5-7-13/h3-8H2,1-2H3,(H,15,16) |
| InChIKey | InChI | 1.06 | UZKFWBFLCWZXBJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(nc1CC(O)=O)C2(C)CCCCC2 |
| SMILES | CACTVS | 3.385 | Cc1oc(nc1CC(O)=O)C2(C)CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(nc(o1)C2(CCCCC2)C)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(nc(o1)C2(CCCCC2)C)CC(=O)O |
