AGE
概要
| 表記: | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide |
| 別名: | APHA Compound 8 3-(1-Methyl-4-phenylacetyl-1H-2-pyrrolyl)-N-hydroxypropenamide |
| 組成式: | C16 H16 N2 O3 |
| 電荷: | 0 |
| 化学式量: | 284.31 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide |
| OpenEye OEToolkits | 1.5.0 | (E)-N-hydroxy-3-[1-methyl-4-(2-phenylethanoyl)pyrrol-2-yl]prop-2-enamide |
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 | 10.04 | O=C(c1cc(\C=C\C(=O)NO)n(c1)C)Cc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1cc(cc1\C=C\C(=O)NO)C(=O)Cc2ccccc2 |
| SMILES | CACTVS | 3.341 | Cn1cc(cc1C=CC(=O)NO)C(=O)Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1cc(cc1\C=C\C(=O)NO)C(=O)Cc2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cn1cc(cc1C=CC(=O)NO)C(=O)Cc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C16H16N2O3/c1-18-11-13(10-14(18)7-8-16(20)17-21)15(19)9-12-5-3-2-4-6-12/h2-8,10-11,21H,9H2,1H3,(H,17,20)/b8-7+ |
| InChIKey | InChI | 1.03 | UFQOXIMRSMFQRI-BQYQJAHWSA-N |
