NUM
概要
| 表記: | N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide |
| 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 | N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[2-(4-hydroxyphenyl)ethyl]pyridine-2-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 | N(C(c1ccccn1)=O)CCc2ccc(cc2)O |
| InChI | InChI | 1.03 | InChI=1S/C14H14N2O2/c17-12-6-4-11(5-7-12)8-10-16-14(18)13-3-1-2-9-15-13/h1-7,9,17H,8,10H2,(H,16,18) |
| InChIKey | InChI | 1.03 | YXENGKAXLJYJOP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(CCNC(=O)c2ccccn2)cc1 |
| SMILES | CACTVS | 3.385 | Oc1ccc(CCNC(=O)c2ccccn2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccnc(c1)C(=O)NCCc2ccc(cc2)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccnc(c1)C(=O)NCCc2ccc(cc2)O |
