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

Systemtic Name: 6-(3-cyclopentyl-3-methyl-but-1-ynyl)-1-methoxy-8-methyl-2-(3-methylbutanoyl)-10H-benzo[b][1,5]benzodioxocin-12-one Openeye Name: 6-(3-cyclopentyl-3-methyl-but-1-ynyl)-1-methoxy-8-methyl-2-(3-methylbutanoyl)-10H-benzo[b][1,5]benzodioxocin-12-one CAS Name: 6-(3-cyclopentyl-3-methylbut-1-ynyl)-1-methoxy-8-methyl-2-(3-methyl-1-oxobutyl)-10H-benzo[b][1,5]benzodioxocin-12-one IUPAC Name: 6-(3-cyclopentyl-3-methylbut-1-ynyl)-1-methoxy-8-methyl-2-(3-methylbutanoyl)-10H-benzo[b][1,5]benzodioxocin-12-one Traditional Name: 6-(3-cyclopentyl-3-methyl-but-1-ynyl)-2-isovaleryl-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one Formula: C31H36O5 MolecularWeight: 488.61454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C#CC(C)(C)C3CCCC3)OC4=C(C(=C(C=C4)C(=O)CC(C)C)OC)C(=O)OC2

Isomeric SMILES

CC1=CC2=C(C(=C1)C#CC(C)(C)C3CCCC3)OC4=C(C(=C(C=C4)C(=O)CC(C)C)OC)C(=O)OC2

InChI

InChI=1S/C31H36O5/c1-19(2)15-25(32)24-11-12-26-27(29(24)34-6)30(33)35-18-22-17-20(3)16-21(28(22)36-26)13-14-31(4,5)23-9-7-8-10-23/h11-12,16-17,19,23H,7-10,15,18H2,1-6H3