3-[[1-methoxy-8-methyl-2-[(1S)-3-methyl-1-oxidanyl-butyl]-12-oxidanylidene-10H-benzo[b][1,5]benzodioxocin-6-yl]oxy]benzenecarbonitrile

Systemtic Name: 3-[[1-methoxy-8-methyl-2-[(1S)-3-methyl-1-oxidanyl-butyl]-12-oxidanylidene-10H-benzo[b][1,5]benzodioxocin-6-yl]oxy]benzenecarbonitrile Openeye Name: 3-[[2-[(1S)-1-hydroxy-3-methyl-butyl]-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-6-yl]oxy]benzonitrile CAS Name: 3-[[2-[(1S)-1-hydroxy-3-methylbutyl]-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-6-yl]oxy]benzonitrile IUPAC Name: 3-[[2-[(1S)-1-hydroxy-3-methylbutyl]-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-6-yl]oxy]benzonitrile Traditional Name: 3-[[2-[(1S)-1-hydroxy-3-methyl-butyl]-12-keto-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-6-yl]oxy]benzonitrile Formula: C28H27NO6 MolecularWeight: 473.51708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)COC(=O)C3=C(O2)C=CC(=C3OC)C(CC(C)C)O)OC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC(=C2C(=C1)COC(=O)C3=C(O2)C=CC(=C3OC)[C@H](CC(C)C)O)OC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H27NO6/c1-16(2)10-22(30)21-8-9-23-25(27(21)32-4)28(31)33-15-19-11-17(3)12-24(26(19)35-23)34-20-7-5-6-18(13-20)14-29/h5-9,11-13,16,22,30H,10,15H2,1-4H3/t22-/m0/s1