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

Systemtic Name: 7-methoxy-3-methyl-1-(3-methylbutoxy)-8-(4-methyl-1-oxidanyl-pentyl)benzo[b][1,4]benzodioxepin-6-one Openeye Name: 8-(1-hydroxy-4-methyl-pentyl)-1-isopentyloxy-7-methoxy-3-methyl-benzo[b][1,4]benzodioxepin-6-one CAS Name: 8-(1-hydroxy-4-methylpentyl)-7-methoxy-3-methyl-1-(3-methylbutoxy)-6-benzo[b][1,4]benzodioxepinone IUPAC Name: 8-(1-hydroxy-4-methylpentyl)-7-methoxy-3-methyl-1-(3-methylbutoxy)benzo[b][1,4]benzodioxepin-6-one Traditional Name: 8-(1-hydroxy-4-methyl-pentyl)-1-isoamoxy-7-methoxy-3-methyl-benzo[b][1,4]benzodioxepin-6-one Formula: C26H34O6 MolecularWeight: 442.54456

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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(CCC(C)C)O)OC)C(=O)O2

Isomeric SMILES

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

InChI

InChI=1S/C26H34O6/c1-15(2)7-9-19(27)18-8-10-20-23(24(18)29-6)26(28)32-22-14-17(5)13-21(25(22)31-20)30-12-11-16(3)4/h8,10,13-16,19,27H,7,9,11-12H2,1-6H3