UVD
概要
| 表記: | methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate |
| 組成式: | C14 H14 N2 O2 |
| 電荷: | 0 |
| 化学式量: | 242.273 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 | methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate |
| OpenEye OEToolkits | 2.0.7 | methyl ~{N}-[4-(pyridin-4-ylmethyl)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 |
| SMILES | ACDLabs | 12.01 | n2ccc(Cc1ccc(cc1)NC(OC)=O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C14H14N2O2/c1-18-14(17)16-13-4-2-11(3-5-13)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17) |
| InChIKey | InChI | 1.03 | ZWUBZIQOXMHHOZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)Nc1ccc(Cc2ccncc2)cc1 |
| SMILES | CACTVS | 3.385 | COC(=O)Nc1ccc(Cc2ccncc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)Nc1ccc(cc1)Cc2ccncc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)Nc1ccc(cc1)Cc2ccncc2 |
