V2D
概要
| 表記: | methyl 2-[(3-hydroxy-2-methylphenoxy)methyl]pyridine-3-carboxylate |
| 組成式: | C15 H15 N O4 |
| 電荷: | 0 |
| 化学式量: | 273.284 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 | methyl 2-[(3-hydroxy-2-methylphenoxy)methyl]pyridine-3-carboxylate |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[(2-methyl-3-oxidanyl-phenoxy)methyl]pyridine-3-carboxylate |
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 | Cc1c(cccc1OCc2ncccc2C(OC)=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H15NO4/c1-10-13(17)6-3-7-14(10)20-9-12-11(15(18)19-2)5-4-8-16-12/h3-8,17H,9H2,1-2H3 |
| InChIKey | InChI | 1.03 | KGBJIZYSRFDDKC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1cccnc1COc2cccc(O)c2C |
| SMILES | CACTVS | 3.385 | COC(=O)c1cccnc1COc2cccc(O)c2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1OCc2c(cccn2)C(=O)OC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1OCc2c(cccn2)C(=O)OC)O |
