VEC
概要
| 表記: | methyl N-(3-hydroxybenzoyl)-N-methylglycinate |
| 組成式: | C11 H13 N O4 |
| 電荷: | 0 |
| 化学式量: | 223.225 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 N-(3-hydroxybenzoyl)-N-methylglycinate |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[(3-hydroxyphenyl)carbonyl-methyl-amino]ethanoate |
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(c1cc(O)ccc1)N(C)CC(=O)OC |
| InChI | InChI | 1.06 | InChI=1S/C11H13NO4/c1-12(7-10(14)16-2)11(15)8-4-3-5-9(13)6-8/h3-6,13H,7H2,1-2H3 |
| InChIKey | InChI | 1.06 | SIYGHEABEISEBF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CN(C)C(=O)c1cccc(O)c1 |
| SMILES | CACTVS | 3.385 | COC(=O)CN(C)C(=O)c1cccc(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CC(=O)OC)C(=O)c1cccc(c1)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CC(=O)OC)C(=O)c1cccc(c1)O |
