Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O3c2c(c1ccc(OC)c(OC)c1)cc(cc2C(O)=CC3C4CCOCC4)C |
InChI | InChI | 1.03 | InChI=1S/C23H26O5/c1-14-10-17(16-4-5-20(25-2)22(12-16)26-3)23-18(11-14)19(24)13-21(28-23)15-6-8-27-9-7-15/h4-5,10-13,15,21,24H,6-9H2,1-3H3/t21-/m0/s1 |
InChIKey | InChI | 1.03 | RVKGQUJUMMUCKA-NRFANRHFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1OC)c2cc(C)cc3C(=C[C@H](Oc23)C4CCOCC4)O |
SMILES | CACTVS | 3.385 | COc1ccc(cc1OC)c2cc(C)cc3C(=C[CH](Oc23)C4CCOCC4)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(c2c(c1)C(=C[C@H](O2)C3CCOCC3)O)c4ccc(c(c4)OC)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(c2c(c1)C(=CC(O2)C3CCOCC3)O)c4ccc(c(c4)OC)OC |