H8L
概要
| 表記: | O3-methyl O5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate |
| 組成式: | C20 H24 N2 O5 |
| 電荷: | 0 |
| 化学式量: | 372.415 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | ~{O}3-methyl ~{O}5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C20H24N2O5/c1-11(2)10-27-20(24)17-13(4)21-12(3)16(19(23)26-5)18(17)14-8-6-7-9-15(14)22-25/h6-9,11,22,25H,10H2,1-5H3 |
| InChIKey | InChI | 1.03 | NBZLNKDNEUDWLT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1c(C)nc(C)c(C(=O)OCC(C)C)c1c2ccccc2NO |
| SMILES | CACTVS | 3.385 | COC(=O)c1c(C)nc(C)c(C(=O)OCC(C)C)c1c2ccccc2NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c(c(n1)C)C(=O)OCC(C)C)c2ccccc2NO)C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c(c(n1)C)C(=O)OCC(C)C)c2ccccc2NO)C(=O)OC |
