種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C26H40NO/c1-4-7-19-27(20-8-5-2,21-9-6-3)22-23-15-17-25(18-16-23)26(28)24-13-11-10-12-14-24/h10-18,26,28H,4-9,19-22H2,1-3H3/t26-/m1/s1 |
InChIKey | InChI | 1.03 | DQUWSYFZBXCPSD-AREMUKBSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCC[N](CCCC)(CCCC)Cc1ccc(cc1)[C@H](O)c2ccccc2 |
SMILES | CACTVS | 3.385 | CCCC[N](CCCC)(CCCC)Cc1ccc(cc1)[CH](O)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[N](CCCC)(CCCC)Cc1ccc(cc1)[C@@H](c2ccccc2)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCC[N](CCCC)(CCCC)Cc1ccc(cc1)C(c2ccccc2)O |