Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#C\C(=C(/c1ccc(O)cc1)c2ccc(cc2)O)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C21H15NO2/c22-14-20(15-4-2-1-3-5-15)21(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h1-13,23-24H |
InChIKey | InChI | 1.03 | PMKMHLVHNOXPOY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)C(c2ccc(O)cc2)=C(C#N)c3ccccc3 |
SMILES | CACTVS | 3.385 | Oc1ccc(cc1)C(c2ccc(O)cc2)=C(C#N)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C(=C(c2ccc(cc2)O)c3ccc(cc3)O)C#N |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C(=C(c2ccc(cc2)O)c3ccc(cc3)O)C#N |