種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CC/C(c1cc(ccc1)Nc2cccc3c2cccc3)=C(/c4ccc(cc4)O)c5ccc(cc5)O |
InChI | InChI | 1.03 | InChI=1S/C32H27NO2/c1-2-29(32(23-13-17-27(34)18-14-23)24-15-19-28(35)20-16-24)25-9-5-10-26(21-25)33-31-12-6-8-22-7-3-4-11-30(22)31/h3-21,33-35H,2H2,1H3 |
InChIKey | InChI | 1.03 | DUNBTGNJKIWECA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(c1cccc(Nc2cccc3ccccc23)c1)=C(c4ccc(O)cc4)c5ccc(O)cc5 |
SMILES | CACTVS | 3.385 | CCC(c1cccc(Nc2cccc3ccccc23)c1)=C(c4ccc(O)cc4)c5ccc(O)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc5c4cccc5 |
SMILES | OpenEye OEToolkits | 1.9.2 | CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc5c4cccc5 |