BY2
概要
表記: | [3-[(1~{R})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{N}-ethyl-~{N}-methyl-carbamate |
組成式: | C14 H22 N2 O3 |
電荷: | 0 |
化学式量: | 266.336 Da |
分子種別: | NON-POLYMER |
化合物名
プログラム | バージョン | 表記 |
OpenEye OEToolkits | 2.0.6 | [3-[(1~{R})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{N}-ethyl-~{N}-methyl-carbamate |
化合物記述子(線形表記)
種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C14H22N2O3/c1-6-16(5)14(18)19-11-7-8-13(17)12(9-11)10(2)15(3)4/h7-10,17H,6H2,1-5H3/t10-/m1/s1 |
InChIKey | InChI | 1.03 | QLWZODGBJZFYGE-SNVBAGLBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(C)C(=O)Oc1ccc(O)c(c1)[C@@H](C)N(C)C |
SMILES | CACTVS | 3.385 | CCN(C)C(=O)Oc1ccc(O)c(c1)[CH](C)N(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN(C)C(=O)Oc1ccc(c(c1)[C@@H](C)N(C)C)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCN(C)C(=O)Oc1ccc(c(c1)C(C)N(C)C)O |