31L
概要
| 表記: | 3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol |
| 組成式: | C18 H21 N O3 |
| 電荷: | 0 |
| 化学式量: | 299.364 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 | 3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol |
| OpenEye OEToolkits | 1.9.2 | 2-methoxy-6-methyl-4-(4-morpholin-4-ylphenyl)phenol |
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 | Oc1c(cc(cc1OC)c3ccc(N2CCOCC2)cc3)C |
| InChI | InChI | 1.03 | InChI=1S/C18H21NO3/c1-13-11-15(12-17(21-2)18(13)20)14-3-5-16(6-4-14)19-7-9-22-10-8-19/h3-6,11-12,20H,7-10H2,1-2H3 |
| InChIKey | InChI | 1.03 | LUWYUXWJRQRONA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(C)c1O)c2ccc(cc2)N3CCOCC3 |
| SMILES | CACTVS | 3.385 | COc1cc(cc(C)c1O)c2ccc(cc2)N3CCOCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(cc(c1O)OC)c2ccc(cc2)N3CCOCC3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(cc(c1O)OC)c2ccc(cc2)N3CCOCC3 |
