種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(C(=O)CC(=O)c2cccc(OCc1ccccc1)c2)N5CCN(C(=O)C(=O)CC(=O)c4cccc(OCc3ccccc3)c4)CC5 |
SMILES_CANONICAL | CACTVS | 3.341 | O=C(CC(=O)c1cccc(OCc2ccccc2)c1)C(=O)N3CCN(CC3)C(=O)C(=O)CC(=O)c4cccc(OCc5ccccc5)c4 |
SMILES | CACTVS | 3.341 | O=C(CC(=O)c1cccc(OCc2ccccc2)c1)C(=O)N3CCN(CC3)C(=O)C(=O)CC(=O)c4cccc(OCc5ccccc5)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)COc2cccc(c2)C(=O)CC(=O)C(=O)N3CCN(CC3)C(=O)C(=O)CC(=O)c4cccc(c4)OCc5ccccc5 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)COc2cccc(c2)C(=O)CC(=O)C(=O)N3CCN(CC3)C(=O)C(=O)CC(=O)c4cccc(c4)OCc5ccccc5 |
InChI | InChI | 1.03 | InChI=1S/C38H34N2O8/c41-33(29-13-7-15-31(21-29)47-25-27-9-3-1-4-10-27)23-35(43)37(45)39-17-19-40(20-18-39)38(46)36(44)24-34(42)30-14-8-16-32(22-30)48-26-28-11-5-2-6-12-28/h1-16,21-22H,17-20,23-26H2 |
InChIKey | InChI | 1.03 | WITKJXOKUUWDOW-UHFFFAOYSA-N |