K9V
概要
| 表記: | N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea |
| 組成式: | C23 H28 F2 N2 O2 |
| 電荷: | 0 |
| 化学式量: | 402.477 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 | N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea |
| OpenEye OEToolkits | 2.0.6 | 1-[4-[[2,6-bis(fluoranyl)phenyl]methoxy]cyclohexyl]-3-(3-phenylpropyl)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 |
| SMILES | ACDLabs | 12.01 | c3ccc(CCCNC(=O)NC1CCC(CC1)OCc2c(F)cccc2F)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C23H28F2N2O2/c24-21-9-4-10-22(25)20(21)16-29-19-13-11-18(12-14-19)27-23(28)26-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,18-19H,5,8,11-16H2,(H2,26,27,28)/t18-,19+ |
| InChIKey | InChI | 1.03 | YXIUOVJEXYHABJ-KDURUIRLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(F)c1CO[C@@H]2CC[C@@H](CC2)NC(=O)NCCCc3ccccc3 |
| SMILES | CACTVS | 3.385 | Fc1cccc(F)c1CO[CH]2CC[CH](CC2)NC(=O)NCCCc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CCCNC(=O)NC2CCC(CC2)OCc3c(cccc3F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CCCNC(=O)NC2CCC(CC2)OCc3c(cccc3F)F |
