C0Y
概要
| 表記: | (3-TERT-BUTYL-4-HYDROXYPHENYL)MORPHOLIN-4-YL-METHANONE |
| 組成式: | C15 H21 N O3 |
| 電荷: | 0 |
| 化学式量: | 263.332 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 | 2-tert-butyl-4-(morpholin-4-ylcarbonyl)phenol |
| OpenEye OEToolkits | 1.6.1 | (3-tert-butyl-4-hydroxy-phenyl)-morpholin-4-yl-methanone |
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(c1ccc(O)c(c1)C(C)(C)C)N2CCOCC2 |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)(C)c1cc(ccc1O)C(=O)N2CCOCC2 |
| SMILES | CACTVS | 3.352 | CC(C)(C)c1cc(ccc1O)C(=O)N2CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(C)(C)c1cc(ccc1O)C(=O)N2CCOCC2 |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(C)(C)c1cc(ccc1O)C(=O)N2CCOCC2 |
| InChI | InChI | 1.03 | InChI=1S/C15H21NO3/c1-15(2,3)12-10-11(4-5-13(12)17)14(18)16-6-8-19-9-7-16/h4-5,10,17H,6-9H2,1-3H3 |
| InChIKey | InChI | 1.03 | KPZLYGXXDVGCGM-UHFFFAOYSA-N |
