F2C
概要
| 表記: | 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid |
| 別名: | 6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinate |
| 組成式: | C22 H22 N2 O4 |
| 電荷: | 0 |
| 化学式量: | 378.421 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 11.02 | 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid |
| OpenEye OEToolkits | 1.6.1 | 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid |
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 | 11.02 | O=C(c1ncc(o1)c2nc(C(=O)O)ccc2)CCCCCCc3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)c1cccc(n1)c2oc(nc2)C(=O)CCCCCCc3ccccc3 |
| SMILES | CACTVS | 3.352 | OC(=O)c1cccc(n1)c2oc(nc2)C(=O)CCCCCCc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CCCCCCC(=O)c2ncc(o2)c3cccc(n3)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CCCCCCC(=O)c2ncc(o2)c3cccc(n3)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27) |
| InChIKey | InChI | 1.03 | DZMRAEAGLIEJDZ-UHFFFAOYSA-N |
