31K
概要
| 表記: | 2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol |
| 組成式: | C17 H19 N O3 |
| 電荷: | 0 |
| 化学式量: | 285.338 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 | 2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol |
| OpenEye OEToolkits | 1.9.2 | 2-methoxy-6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenol |
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 | Oc3c(cc(c2ccc1c(OCCN1C)c2)cc3OC)C |
| InChI | InChI | 1.03 | InChI=1S/C17H19NO3/c1-11-8-13(10-16(20-3)17(11)19)12-4-5-14-15(9-12)21-7-6-18(14)2/h4-5,8-10,19H,6-7H2,1-3H3 |
| InChIKey | InChI | 1.03 | RZARGVUVKRIAGU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(C)c1O)c2ccc3N(C)CCOc3c2 |
| SMILES | CACTVS | 3.385 | COc1cc(cc(C)c1O)c2ccc3N(C)CCOc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(cc(c1O)OC)c2ccc3c(c2)OCCN3C |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(cc(c1O)OC)c2ccc3c(c2)OCCN3C |
