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

Systemtic Name: 1-methoxy-8-methyl-2-(3-methylbutanoyl)-6-(3-methyl-3-pyrrol-1-yl-but-1-ynyl)-10H-benzo[b][1,5]benzodioxocin-12-one Openeye Name: 1-methoxy-8-methyl-2-(3-methylbutanoyl)-6-(3-methyl-3-pyrrol-1-yl-but-1-ynyl)-10H-benzo[b][1,5]benzodioxocin-12-one CAS Name: 1-methoxy-8-methyl-2-(3-methyl-1-oxobutyl)-6-[3-methyl-3-(1-pyrrolyl)but-1-ynyl]-10H-benzo[b][1,5]benzodioxocin-12-one IUPAC Name: 1-methoxy-8-methyl-2-(3-methylbutanoyl)-6-(3-methyl-3-pyrrol-1-ylbut-1-ynyl)-10H-benzo[b][1,5]benzodioxocin-12-one Traditional Name: 2-isovaleryl-1-methoxy-8-methyl-6-(3-methyl-3-pyrrol-1-yl-but-1-ynyl)-10H-benzo[b][1,5]benzodioxocin-12-one Formula: C30H31NO5 MolecularWeight: 485.57084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C#CC(C)(C)N3C=CC=C3)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)N3C=CC=C3)OC4=C(C(=C(C=C4)C(=O)CC(C)C)OC)C(=O)OC2

InChI

InChI=1S/C30H31NO5/c1-19(2)15-24(32)23-9-10-25-26(28(23)34-6)29(33)35-18-22-17-20(3)16-21(27(22)36-25)11-12-30(4,5)31-13-7-8-14-31/h7-10,13-14,16-17,19H,15,18H2,1-6H3