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

Systemtic Name: 8-(2-cyclopropyl-1-oxidanyl-ethyl)-7-methoxy-3-methyl-1-(3-methylbutoxy)benzo[b][1,4]benzodioxepin-6-one Openeye Name: 8-(2-cyclopropyl-1-hydroxy-ethyl)-1-isopentyloxy-7-methoxy-3-methyl-benzo[b][1,4]benzodioxepin-6-one CAS Name: 8-(2-cyclopropyl-1-hydroxyethyl)-7-methoxy-3-methyl-1-(3-methylbutoxy)-6-benzo[b][1,4]benzodioxepinone IUPAC Name: 8-(2-cyclopropyl-1-hydroxyethyl)-7-methoxy-3-methyl-1-(3-methylbutoxy)benzo[b][1,4]benzodioxepin-6-one Traditional Name: 8-(2-cyclopropyl-1-hydroxy-ethyl)-1-isoamoxy-7-methoxy-3-methyl-benzo[b][1,4]benzodioxepin-6-one Formula: C25H30O6 MolecularWeight: 426.5021

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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(CC4CC4)O)OC)C(=O)O2

Isomeric SMILES

CC1=CC2=C(C(=C1)OCCC(C)C)OC3=C(C(=C(C=C3)C(CC4CC4)O)OC)C(=O)O2

InChI

InChI=1S/C25H30O6/c1-14(2)9-10-29-20-11-15(3)12-21-24(20)30-19-8-7-17(18(26)13-16-5-6-16)23(28-4)22(19)25(27)31-21/h7-8,11-12,14,16,18,26H,5-6,9-10,13H2,1-4H3