YG9
概要
| 表記: | (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione |
| 組成式: | C13 H16 N2 O3 |
| 電荷: | 0 |
| 化学式量: | 248.278 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 | (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione |
| OpenEye OEToolkits | 2.0.7 | (5~{R})-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-imidazolidine-2,4-dione |
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 | COc1ccc(cc1)CCC1(C)NC(=O)NC1=O |
| InChI | InChI | 1.06 | InChI=1S/C13H16N2O3/c1-13(11(16)14-12(17)15-13)8-7-9-3-5-10(18-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17)/t13-/m1/s1 |
| InChIKey | InChI | 1.06 | HYRDVXQOZUFAFW-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CC[C@@]2(C)NC(=O)NC2=O)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CC[C]2(C)NC(=O)NC2=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]1(C(=O)NC(=O)N1)CCc2ccc(cc2)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C(=O)NC(=O)N1)CCc2ccc(cc2)OC |
