[(2S)-1-(5,7-dimethoxy-2-oxidanylidene-chromen-8-yl)-3-methyl-but-3-en-2-yl] 3-methylbutanoate

Systemtic Name: [(2S)-1-(5,7-dimethoxy-2-oxidanylidene-chromen-8-yl)-3-methyl-but-3-en-2-yl] 3-methylbutanoate Openeye Name: [(1S)-1-[(5,7-dimethoxy-2-oxo-chromen-8-yl)methyl]-2-methyl-allyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [(2S)-1-(5,7-dimethoxy-2-oxo-1-benzopyran-8-yl)-3-methylbut-3-en-2-yl] ester IUPAC Name: [(2S)-1-(5,7-dimethoxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [(1S)-1-[(2-keto-5,7-dimethoxy-chromen-8-yl)methyl]-2-methyl-allyl] ester Formula: C21H26O6 MolecularWeight: 374.42754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC(CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C(=C)C

Isomeric SMILES

CC(C)CC(=O)O[C@@H](CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C(=C)C

InChI

InChI=1S/C21H26O6/c1-12(2)9-20(23)26-16(13(3)4)10-15-18(25-6)11-17(24-5)14-7-8-19(22)27-21(14)15/h7-8,11-12,16H,3,9-10H2,1-2,4-6H3/t16-/m0/s1