U60
概要
| 表記: | (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid |
| 組成式: | C25 H28 O4 |
| 電荷: | 0 |
| 化学式量: | 392.487 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 | 2.0.7 | (2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid |
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 | 1.06 | InChI=1S/C25H28O4/c1-14-5-10-20(16-6-7-16)23(22(14)24(25(26)27)29-17-8-9-17)19-11-12-21-18(15(19)2)4-3-13-28-21/h5,10-12,16-17,24H,3-4,6-9,13H2,1-2H3,(H,26,27)/t24-/m0/s1 |
| InChIKey | InChI | 1.06 | ZNMXSKRQRZHGAE-DEOSSOPVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(C2CC2)c(c3ccc4OCCCc4c3C)c1[C@H](OC5CC5)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(C2CC2)c(c3ccc4OCCCc4c3C)c1[CH](OC5CC5)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1[C@@H](C(=O)O)OC2CC2)c3ccc4c(c3C)CCCO4)C5CC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1C(C(=O)O)OC2CC2)c3ccc4c(c3C)CCCO4)C5CC5 |
