Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H27NO6/c1-15(25)24-11-10-16-13-22(29-4)23(30-5)14-19(16)20(26)8-6-17-12-18(27-2)7-9-21(17)28-3/h6-9,12-14H,10-11H2,1-5H3,(H,24,25)/b8-6+ |
InChIKey | InChI | 1.03 | LAUMQBPBNOMJLM-SOFGYWHQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(OC)c(/C=C/C(=O)c2cc(OC)c(OC)cc2CCNC(C)=O)c1 |
SMILES | CACTVS | 3.385 | COc1ccc(OC)c(C=CC(=O)c2cc(OC)c(OC)cc2CCNC(C)=O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NCCc1cc(c(cc1C(=O)/C=C/c2cc(ccc2OC)OC)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NCCc1cc(c(cc1C(=O)C=Cc2cc(ccc2OC)OC)OC)OC |