8-methyl-6-(3-methylbutoxy)-2-(3-methyl-1-oxidanyl-butyl)-12-oxidanylidene-10H-benzo[b][1,5]benzodioxocine-1-carbonitrile

Systemtic Name: 8-methyl-6-(3-methylbutoxy)-2-(3-methyl-1-oxidanyl-butyl)-12-oxidanylidene-10H-benzo[b][1,5]benzodioxocine-1-carbonitrile Openeye Name: 2-(1-hydroxy-3-methyl-butyl)-6-isopentyloxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocine-1-carbonitrile CAS Name: 2-(1-hydroxy-3-methylbutyl)-8-methyl-6-(3-methylbutoxy)-12-oxo-10H-benzo[b][1,5]benzodioxocin-1-carbonitrile IUPAC Name: 2-(1-hydroxy-3-methylbutyl)-8-methyl-6-(3-methylbutoxy)-12-oxo-10H-benzo[b][1,5]benzodioxocine-1-carbonitrile Traditional Name: 2-(1-hydroxy-3-methyl-butyl)-6-isoamoxy-12-keto-8-methyl-10H-benzo[b][1,5]benzodioxocin-1-carbonitrile Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)COC(=O)C3=C(O2)C=CC(=C3C#N)C(CC(C)C)O)OCCC(C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)COC(=O)C3=C(O2)C=CC(=C3C#N)C(CC(C)C)O)OCCC(C)C

InChI

InChI=1S/C26H31NO5/c1-15(2)8-9-30-23-12-17(5)11-18-14-31-26(29)24-20(13-27)19(21(28)10-16(3)4)6-7-22(24)32-25(18)23/h6-7,11-12,15-16,21,28H,8-10,14H2,1-5H3