8-(2-cyclohexyl-1-oxidanyl-ethyl)-7-methoxy-3-methyl-1-(3-methylbutoxy)benzo[b][1,4]benzodioxepin-6-one

Systemtic Name: 8-(2-cyclohexyl-1-oxidanyl-ethyl)-7-methoxy-3-methyl-1-(3-methylbutoxy)benzo[b][1,4]benzodioxepin-6-one Openeye Name: 8-(2-cyclohexyl-1-hydroxy-ethyl)-1-isopentyloxy-7-methoxy-3-methyl-benzo[b][1,4]benzodioxepin-6-one CAS Name: 8-(2-cyclohexyl-1-hydroxyethyl)-7-methoxy-3-methyl-1-(3-methylbutoxy)-6-benzo[b][1,4]benzodioxepinone IUPAC Name: 8-(2-cyclohexyl-1-hydroxyethyl)-7-methoxy-3-methyl-1-(3-methylbutoxy)benzo[b][1,4]benzodioxepin-6-one Traditional Name: 8-(2-cyclohexyl-1-hydroxy-ethyl)-1-isoamoxy-7-methoxy-3-methyl-benzo[b][1,4]benzodioxepin-6-one Formula: C28H36O6 MolecularWeight: 468.58184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)OCCC(C)C)OC3=C(C(=C(C=C3)C(CC4CCCCC4)O)OC)C(=O)O2

Isomeric SMILES

CC1=CC2=C(C(=C1)OCCC(C)C)OC3=C(C(=C(C=C3)C(CC4CCCCC4)O)OC)C(=O)O2

InChI

InChI=1S/C28H36O6/c1-17(2)12-13-32-23-14-18(3)15-24-27(23)33-22-11-10-20(26(31-4)25(22)28(30)34-24)21(29)16-19-8-6-5-7-9-19/h10-11,14-15,17,19,21,29H,5-9,12-13,16H2,1-4H3