種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c2ccc1cccc(c1c2)C(=O)c3c(C)n5C(COc4cccc3c45)CN6CCOCC6 |
InChI | InChI | 1.03 | InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 |
InChIKey | InChI | 1.03 | HQVHOQAKMCMIIM-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1n2[C@@H](COc3cccc(c23)c1C(=O)c4cccc5ccccc45)CN6CCOCC6 |
SMILES | CACTVS | 3.385 | Cc1n2[CH](COc3cccc(c23)c1C(=O)c4cccc5ccccc45)CN6CCOCC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c2cccc3c2n1[C@@H](CO3)CN4CCOCC4)C(=O)c5cccc6c5cccc6 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c2cccc3c2n1C(CO3)CN4CCOCC4)C(=O)c5cccc6c5cccc6 |