GJ1
概要
| 表記: | {6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol |
| 組成式: | C15 H17 N O3 |
| 電荷: | 0 |
| 化学式量: | 259.3 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 | {6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol |
| OpenEye OEToolkits | 2.0.6 | [6-[(4-methoxy-2-methyl-phenoxy)methyl]pyridin-2-yl]methanol |
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 | c2(OCc1cccc(n1)CO)ccc(cc2C)OC |
| InChI | InChI | 1.03 | InChI=1S/C15H17NO3/c1-11-8-14(18-2)6-7-15(11)19-10-13-5-3-4-12(9-17)16-13/h3-8,17H,9-10H2,1-2H3 |
| InChIKey | InChI | 1.03 | GBTFLQPUSKDFPL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(OCc2cccc(CO)n2)c(C)c1 |
| SMILES | CACTVS | 3.385 | COc1ccc(OCc2cccc(CO)n2)c(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1OCc2cccc(n2)CO)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1OCc2cccc(n2)CO)OC |
