1-(cyclopentylmethoxy)-7-methoxy-3-methyl-8-[(1S)-3-methyl-1-oxidanyl-butyl]benzo[b][1,4]benzodioxepin-6-one

Systemtic Name: 1-(cyclopentylmethoxy)-7-methoxy-3-methyl-8-[(1S)-3-methyl-1-oxidanyl-butyl]benzo[b][1,4]benzodioxepin-6-one Openeye Name: 1-(cyclopentylmethoxy)-8-[(1S)-1-hydroxy-3-methyl-butyl]-7-methoxy-3-methyl-benzo[b][1,4]benzodioxepin-6-one CAS Name: 1-(cyclopentylmethoxy)-8-[(1S)-1-hydroxy-3-methylbutyl]-7-methoxy-3-methyl-6-benzo[b][1,4]benzodioxepinone IUPAC Name: 1-(cyclopentylmethoxy)-8-[(1S)-1-hydroxy-3-methylbutyl]-7-methoxy-3-methylbenzo[b][1,4]benzodioxepin-6-one Traditional Name: 1-(cyclopentylmethoxy)-8-[(1S)-1-hydroxy-3-methyl-butyl]-7-methoxy-3-methyl-benzo[b][1,4]benzodioxepin-6-one Formula: C26H32O6 MolecularWeight: 440.52868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)OCC3CCCC3)OC4=C(C(=C(C=C4)C(CC(C)C)O)OC)C(=O)O2

Isomeric SMILES

CC1=CC2=C(C(=C1)OCC3CCCC3)OC4=C(C(=C(C=C4)[C@H](CC(C)C)O)OC)C(=O)O2

InChI

InChI=1S/C26H32O6/c1-15(2)11-19(27)18-9-10-20-23(24(18)29-4)26(28)32-22-13-16(3)12-21(25(22)31-20)30-14-17-7-5-6-8-17/h9-10,12-13,15,17,19,27H,5-8,11,14H2,1-4H3/t19-/m0/s1