R4F
概要
| 表記: | 1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form |
| 組成式: | C13 H13 N O2 |
| 電荷: | 0 |
| 化学式量: | 215.248 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 | 1-(2-methylpropanoyl)-1H-indole-3-carbaldehyde |
| OpenEye OEToolkits | 2.0.7 | 1-(2-methylpropanoyl)indole-3-carbaldehyde |
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 | CC(C)C(=O)n1cc(C=O)c2ccccc21 |
| InChI | InChI | 1.03 | InChI=1S/C13H13NO2/c1-9(2)13(16)14-7-10(8-15)11-5-3-4-6-12(11)14/h3-9H,1-2H3 |
| InChIKey | InChI | 1.03 | GAZDTEOBGBWWLL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C(=O)n1cc(C=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | CC(C)C(=O)n1cc(C=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C(=O)n1cc(c2c1cccc2)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(=O)n1cc(c2c1cccc2)C=O |
