種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | COc1ccccc1OC(C)CNC(=O)C1=CC(=O)Nc2ccc(F)cc21 |
InChI | InChI | 1.06 | InChI=1S/C20H19FN2O4/c1-12(27-18-6-4-3-5-17(18)26-2)11-22-20(25)15-10-19(24)23-16-8-7-13(21)9-14(15)16/h3-10,12H,11H2,1-2H3,(H,22,25)(H,23,24)/t12-/m1/s1 |
InChIKey | InChI | 1.06 | LZQQUMOUOYPMFQ-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1O[C@H](C)CNC(=O)C2=CC(=O)Nc3ccc(F)cc23 |
SMILES | CACTVS | 3.385 | COc1ccccc1O[CH](C)CNC(=O)C2=CC(=O)Nc3ccc(F)cc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CNC(=O)C1=CC(=O)Nc2c1cc(cc2)F)Oc3ccccc3OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(CNC(=O)C1=CC(=O)Nc2c1cc(cc2)F)Oc3ccccc3OC |