種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C\C(=C(/c1ccc(O)cc1)c2ccc(cc2)O)c3cccc(c3)Nc4ccc(F)cc4 |
InChI | InChI | 1.03 | InChI=1S/C27H22FNO2/c1-18(21-3-2-4-24(17-21)29-23-11-9-22(28)10-12-23)27(19-5-13-25(30)14-6-19)20-7-15-26(31)16-8-20/h2-17,29-31H,1H3 |
InChIKey | InChI | 1.03 | VYLVDNORDIJWQC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(c1cccc(Nc2ccc(F)cc2)c1)=C(c3ccc(O)cc3)c4ccc(O)cc4 |
SMILES | CACTVS | 3.385 | CC(c1cccc(Nc2ccc(F)cc2)c1)=C(c3ccc(O)cc3)c4ccc(O)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccc(cc4)F |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccc(cc4)F |