OHZ
概要
| 表記: | 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea |
| 別名: | 1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea |
| 組成式: | C16 H14 Cl F3 N2 O3 |
| 電荷: | 0 |
| 化学式量: | 374.742 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 | 1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea |
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/C16H14ClF3N2O3/c17-11-7-12(9-13(8-11)25-16(18,19)20)21-15(24)22-14-4-2-1-3-10(14)5-6-23/h1-4,7-9,23H,5-6H2,(H2,21,22,24) |
| InChIKey | InChI | 1.03 | MFPOPEHXGDSREH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCc1ccccc1NC(=O)Nc2cc(Cl)cc(OC(F)(F)F)c2 |
| SMILES | CACTVS | 3.385 | OCCc1ccccc1NC(=O)Nc2cc(Cl)cc(OC(F)(F)F)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)OC(F)(F)F |
