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

Systemtic Name: [7-methoxy-3-methyl-8-[(1S)-3-methyl-1-oxidanyl-butyl]-6-oxidanylidene-benzo[b][1,4]benzodioxepin-1-yl] cyclopentanecarboxylate Openeye Name: [8-[(1S)-1-hydroxy-3-methyl-butyl]-7-methoxy-3-methyl-6-oxo-benzo[b][1,4]benzodioxepin-1-yl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [8-[(1S)-1-hydroxy-3-methylbutyl]-7-methoxy-3-methyl-6-oxo-1-benzo[b][1,4]benzodioxepinyl] ester IUPAC Name: [8-[(1S)-1-hydroxy-3-methylbutyl]-7-methoxy-3-methyl-6-oxobenzo[b][1,4]benzodioxepin-1-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [8-[(1S)-1-hydroxy-3-methyl-butyl]-6-keto-7-methoxy-3-methyl-benzo[b][1,4]benzodioxepin-1-yl] ester Formula: C26H30O7 MolecularWeight: 454.5122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)OC(=O)C3CCCC3)OC4=C(C(=C(C=C4)C(CC(C)C)O)OC)C(=O)O2

Isomeric SMILES

CC1=CC2=C(C(=C1)OC(=O)C3CCCC3)OC4=C(C(=C(C=C4)[C@H](CC(C)C)O)OC)C(=O)O2

InChI

InChI=1S/C26H30O7/c1-14(2)11-18(27)17-9-10-19-22(23(17)30-4)26(29)33-21-13-15(3)12-20(24(21)31-19)32-25(28)16-7-5-6-8-16/h9-10,12-14,16,18,27H,5-8,11H2,1-4H3/t18-/m0/s1