Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c1ccc(cc1)/C(c2ccc(O)cc2)=C(\c3ccccc3)CCCO)CCN(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C)CCOc1ccc(cc1)C(=C(CCCO)\c2ccccc2)/c3ccc(O)cc3 |
SMILES | CACTVS | 3.341 | CN(C)CCOc1ccc(cc1)C(=C(CCCO)c2ccccc2)c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)CCOc1ccc(cc1)/C(=C(/CCCO)\c2ccccc2)/c3ccc(cc3)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)CCOc1ccc(cc1)C(=C(CCCO)c2ccccc2)c3ccc(cc3)O |
InChI | InChI | 1.03 | InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26- |
InChIKey | InChI | 1.03 | ZVSFNBNLNLXEFQ-RQZHXJHFSA-N |