2UR
概要
| 表記: | (2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide |
| 組成式: | C10 H10 F N O2 |
| 電荷: | 0 |
| 化学式量: | 195.19 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 | (2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide |
| OpenEye OEToolkits | 1.7.6 | (2R)-5-fluoranyl-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide |
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 | Fc2cc1c(OC(C1)C)c(c2)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H10FNO2/c1-5-2-6-3-7(11)4-8(10(12)13)9(6)14-5/h3-5H,2H2,1H3,(H2,12,13)/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | ZPHKBVTUIABAIO-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1Cc2cc(F)cc(C(N)=O)c2O1 |
| SMILES | CACTVS | 3.385 | C[CH]1Cc2cc(F)cc(C(N)=O)c2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1Cc2cc(cc(c2O1)C(=O)N)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1Cc2cc(cc(c2O1)C(=O)N)F |
