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

Systemtic Name: 7-methoxy-3-methyl-8-[(1S)-3-methyl-1-oxidanyl-butyl]-1-phenylmethoxy-benzo[b][1,4]benzodioxepin-6-one Openeye Name: 1-benzyloxy-8-[(1S)-1-hydroxy-3-methyl-butyl]-7-methoxy-3-methyl-benzo[b][1,4]benzodioxepin-6-one CAS Name: 8-[(1S)-1-hydroxy-3-methylbutyl]-7-methoxy-3-methyl-1-phenylmethoxy-6-benzo[b][1,4]benzodioxepinone IUPAC Name: 8-[(1S)-1-hydroxy-3-methylbutyl]-7-methoxy-3-methyl-1-phenylmethoxybenzo[b][1,4]benzodioxepin-6-one Traditional Name: 1-benzoxy-8-[(1S)-1-hydroxy-3-methyl-butyl]-7-methoxy-3-methyl-benzo[b][1,4]benzodioxepin-6-one Formula: C27H28O6 MolecularWeight: 448.50762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)OCC3=CC=CC=C3)OC4=C(C(=C(C=C4)C(CC(C)C)O)OC)C(=O)O2

Isomeric SMILES

CC1=CC2=C(C(=C1)OCC3=CC=CC=C3)OC4=C(C(=C(C=C4)[C@H](CC(C)C)O)OC)C(=O)O2

InChI

InChI=1S/C27H28O6/c1-16(2)12-20(28)19-10-11-21-24(25(19)30-4)27(29)33-23-14-17(3)13-22(26(23)32-21)31-15-18-8-6-5-7-9-18/h5-11,13-14,16,20,28H,12,15H2,1-4H3/t20-/m0/s1