Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1cc(c(cc1)c2ccc(F)cc2)C(=O)OC)C(/C#N)=C(\O)CC |
InChI | InChI | 1.03 | InChI=1S/C20H17FN2O4/c1-3-18(24)17(11-22)19(25)23-14-8-9-15(16(10-14)20(26)27-2)12-4-6-13(21)7-5-12/h4-10,24H,3H2,1-2H3,(H,23,25)/b18-17- |
InChIKey | InChI | 1.03 | IYKUBGQVTQQVJG-ZCXUNETKSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCC(/O)=C(C#N)/C(=O)Nc1ccc(c2ccc(F)cc2)c(c1)C(=O)OC |
SMILES | CACTVS | 3.370 | CCC(O)=C(C#N)C(=O)Nc1ccc(c2ccc(F)cc2)c(c1)C(=O)OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC/C(=C(\C#N)/C(=O)Nc1ccc(c(c1)C(=O)OC)c2ccc(cc2)F)/O |
SMILES | OpenEye OEToolkits | 1.7.2 | CCC(=C(C#N)C(=O)Nc1ccc(c(c1)C(=O)OC)c2ccc(cc2)F)O |