種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O(c1ccc(cc1)/C(c2ccc(O)cc2)=C(\c3ccccc3)CC)CCN(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC\C(c1ccccc1)=C(/c2ccc(O)cc2)c3ccc(OCCN(C)C)cc3 |
SMILES | CACTVS | 3.341 | CCC(c1ccccc1)=C(c2ccc(O)cc2)c3ccc(OCCN(C)C)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC(=C(c1ccc(cc1)O)c2ccc(cc2)OCCN(C)C)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25- |
InChIKey | InChI | 1.03 | TXUZVZSFRXZGTL-QPLCGJKRSA-N |