6-(3-cyclopentylprop-1-ynyl)-1-methoxy-8-methyl-2-(3-methylbutanoyl)-10H-benzo[b][1,5]benzodioxocin-12-one

Systemtic Name: 6-(3-cyclopentylprop-1-ynyl)-1-methoxy-8-methyl-2-(3-methylbutanoyl)-10H-benzo[b][1,5]benzodioxocin-12-one Openeye Name: 6-(3-cyclopentylprop-1-ynyl)-1-methoxy-8-methyl-2-(3-methylbutanoyl)-10H-benzo[b][1,5]benzodioxocin-12-one CAS Name: 6-(3-cyclopentylprop-1-ynyl)-1-methoxy-8-methyl-2-(3-methyl-1-oxobutyl)-10H-benzo[b][1,5]benzodioxocin-12-one IUPAC Name: 6-(3-cyclopentylprop-1-ynyl)-1-methoxy-8-methyl-2-(3-methylbutanoyl)-10H-benzo[b][1,5]benzodioxocin-12-one Traditional Name: 6-(3-cyclopentylprop-1-ynyl)-2-isovaleryl-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one Formula: C29H32O5 MolecularWeight: 460.56138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C#CCC3CCCC3)OC4=C(C(=C(C=C4)C(=O)CC(C)C)OC)C(=O)OC2

Isomeric SMILES

CC1=CC2=C(C(=C1)C#CCC3CCCC3)OC4=C(C(=C(C=C4)C(=O)CC(C)C)OC)C(=O)OC2

InChI

InChI=1S/C29H32O5/c1-18(2)14-24(30)23-12-13-25-26(28(23)32-4)29(31)33-17-22-16-19(3)15-21(27(22)34-25)11-7-10-20-8-5-6-9-20/h12-13,15-16,18,20H,5-6,8-10,14,17H2,1-4H3