V1M
概要
| 表記: | methyl 5-[(4-methoxy-2-methylphenoxy)methyl]pyridine-2-carboxylate |
| 組成式: | C16 H17 N O4 |
| 電荷: | 0 |
| 化学式量: | 287.31 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 5-[(4-methoxy-2-methylphenoxy)methyl]pyridine-2-carboxylate |
| OpenEye OEToolkits | 2.0.7 | methyl 5-[(4-methoxy-2-methyl-phenoxy)methyl]pyridine-2-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 | Cc1cc(OC)ccc1OCc2ccc(nc2)C(=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C16H17NO4/c1-11-8-13(19-2)5-7-15(11)21-10-12-4-6-14(17-9-12)16(18)20-3/h4-9H,10H2,1-3H3 |
| InChIKey | InChI | 1.03 | UCQHQVIAEYFBHN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc(COc2ccc(OC)cc2C)cn1 |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc(COc2ccc(OC)cc2C)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1OCc2ccc(nc2)C(=O)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1OCc2ccc(nc2)C(=O)OC)OC |
