43O
概要
| 表記: | N-[2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl]-2-methoxyacetamide |
| 組成式: | C14 H18 N2 O3 |
| 電荷: | 0 |
| 化学式量: | 262.304 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-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl]-2-methoxyacetamide |
| OpenEye OEToolkits | 1.9.2 | 2-methoxy-N-[2-(2-methyl-5-oxidanyl-1H-indol-3-yl)ethyl]ethanamide |
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 | O=C(NCCc2c1cc(O)ccc1nc2C)COC |
| InChI | InChI | 1.03 | InChI=1S/C14H18N2O3/c1-9-11(5-6-15-14(18)8-19-2)12-7-10(17)3-4-13(12)16-9/h3-4,7,16-17H,5-6,8H2,1-2H3,(H,15,18) |
| InChIKey | InChI | 1.03 | YBXBWBBVLXZQBJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCC(=O)NCCc1c(C)[nH]c2ccc(O)cc12 |
| SMILES | CACTVS | 3.385 | COCC(=O)NCCc1c(C)[nH]c2ccc(O)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(c2cc(ccc2[nH]1)O)CCNC(=O)COC |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(c2cc(ccc2[nH]1)O)CCNC(=O)COC |
