0MO
概要
| 表記: | (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one |
| 別名: | 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone |
| 組成式: | C15 H22 N2 O3 |
| 電荷: | 0 |
| 化学式量: | 278.347 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 | (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one |
| OpenEye OEToolkits | 1.6.1 | (4R)-4-[(3-butoxy-4-methoxy-phenyl)methyl]imidazolidin-2-one |
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=C1NCC(N1)Cc2cc(OCCCC)c(OC)cc2 |
| SMILES_CANONICAL | CACTVS | 3.352 | CCCCOc1cc(C[C@@H]2CNC(=O)N2)ccc1OC |
| SMILES | CACTVS | 3.352 | CCCCOc1cc(C[CH]2CNC(=O)N2)ccc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCCOc1cc(ccc1OC)C[C@@H]2CNC(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCCOc1cc(ccc1OC)CC2CNC(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | PDMUULPVBYQBBK-GFCCVEGCSA-N |
