種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C24H23NO3/c26-24(27)14-21-5-1-2-7-23(21)28-16-17-4-3-6-19(12-17)20-9-8-18-10-11-25-15-22(18)13-20/h1-9,12-13,25H,10-11,14-16H2,(H,26,27) |
InChIKey | InChI | 1.03 | PKSHGMOAJDEGBL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1ccccc1OCc2cccc(c2)c3ccc4CCNCc4c3 |
SMILES | CACTVS | 3.385 | OC(=O)Cc1ccccc1OCc2cccc(c2)c3ccc4CCNCc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3ccc4c(c3)CNCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3ccc4c(c3)CNCC4 |