RYK
概要
| 表記: | (5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide |
| 組成式: | C24 H28 N2 O7 |
| 電荷: | 0 |
| 化学式量: | 456.488 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | (5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-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 |
| InChI | InChI | 1.03 | InChI=1S/C24H28N2O7/c1-5-25-24(27)26-9-8-13-10-17-22(33-12-32-17)23(30-4)18(13)19(26)21-14-6-7-16(28-2)20(29-3)15(14)11-31-21/h6-7,10,19,21H,5,8-9,11-12H2,1-4H3,(H,25,27)/t19-,21+/m1/s1 |
| InChIKey | InChI | 1.03 | VMHFTRMCCSRTML-CTNGQTDRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)N1CCc2cc3OCOc3c(OC)c2[C@@H]1[C@H]4OCc5c4ccc(OC)c5OC |
| SMILES | CACTVS | 3.385 | CCNC(=O)N1CCc2cc3OCOc3c(OC)c2[CH]1[CH]4OCc5c4ccc(OC)c5OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNC(=O)N1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5CO4)OC)OC)OC)OCO3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(=O)N1CCc2cc3c(c(c2C1C4c5ccc(c(c5CO4)OC)OC)OC)OCO3 |
