種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C21H21NO4/c1-2-3-6-9-22-16-8-5-4-7-14(16)21(20(22)23)12-24-17-11-19-18(10-15(17)21)25-13-26-19/h4-5,7-8,10-11H,2-3,6,9,12-13H2,1H3/t21-/m1/s1 |
InChIKey | InChI | 1.03 | PHMRUZIIERITEP-OAQYLSRUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCN1C(=O)[C@]2(COc3cc4OCOc4cc23)c5ccccc15 |
SMILES | CACTVS | 3.385 | CCCCCN1C(=O)[C]2(COc3cc4OCOc4cc23)c5ccccc15 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCN1c2ccccc2[C@]3(C1=O)COc4c3cc5c(c4)OCO5 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCN1c2ccccc2C3(C1=O)COc4c3cc5c(c4)OCO5 |