種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C25H29N3O6/c1-4-33-23-8-5-18(17(2)29)16-21(23)27-24(30)19-6-7-22(20(15-19)25(31)32-3)34-14-13-28-11-9-26-10-12-28/h5-9,15-16H,4,10-14H2,1-3H3,(H,27,30) |
InChIKey | InChI | 1.03 | HFLCQGIXUOKAGP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(cc1NC(=O)c2ccc(OCCN3CCN=CC3)c(c2)C(=O)OC)C(C)=O |
SMILES | CACTVS | 3.385 | CCOc1ccc(cc1NC(=O)c2ccc(OCCN3CCN=CC3)c(c2)C(=O)OC)C(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCOc1ccc(cc1NC(=O)c2ccc(c(c2)C(=O)OC)OCCN3CCN=CC3)C(=O)C |
SMILES | OpenEye OEToolkits | 2.0.4 | CCOc1ccc(cc1NC(=O)c2ccc(c(c2)C(=O)OC)OCCN3CCN=CC3)C(=O)C |