9MF
概要
| 表記: | methyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate |
| 別名: | HN37 |
| 組成式: | C20 H21 F N2 O2 |
| 電荷: | 0 |
| 化学式量: | 340.391 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 | methyl ~{N}-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate |
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 | 1.06 | InChI=1S/C20H21FN2O2/c1-5-10-23(13-16-6-8-17(21)9-7-16)18-11-14(2)19(15(3)12-18)22-20(24)25-4/h1,6-9,11-12H,10,13H2,2-4H3,(H,22,24) |
| InChIKey | InChI | 1.06 | HXUBJZRAVCPBRH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)Nc1c(C)cc(cc1C)N(CC#C)Cc2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | COC(=O)Nc1c(C)cc(cc1C)N(CC#C)Cc2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1NC(=O)OC)C)N(CC#C)Cc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1NC(=O)OC)C)N(CC#C)Cc2ccc(cc2)F |
