種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cc(F)ccc21 |
InChI | InChI | 1.06 | InChI=1S/C19H17FN2O4/c1-25-16-4-2-3-5-17(16)26-9-8-21-19(24)14-11-18(23)22-15-10-12(20)6-7-13(14)15/h2-7,10-11H,8-9H2,1H3,(H,21,24)(H,22,23) |
InChIKey | InChI | 1.06 | KKIJAAYVRSUCNW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cc(F)ccc23 |
SMILES | CACTVS | 3.385 | COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cc(F)ccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2ccc(c3)F |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2ccc(c3)F |