[2,5-dimethoxy-4,6-bis(oxidanyl)-3-[(E)-3-phenylprop-2-enoyl]phenyl] 3-methylbutanoate

Systemtic Name: [2,5-dimethoxy-4,6-bis(oxidanyl)-3-[(E)-3-phenylprop-2-enoyl]phenyl] 3-methylbutanoate Openeye Name: [2,4-dihydroxy-3,6-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [2,4-dihydroxy-3,6-dimethoxy-5-[(E)-1-oxo-3-phenylprop-2-enyl]phenyl] ester IUPAC Name: [2,4-dihydroxy-3,6-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [2,4-dihydroxy-3,6-dimethoxy-5-[(E)-3-phenylacryloyl]phenyl] ester Formula: C22H24O7 MolecularWeight: 400.42176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=C(C(=C(C(=C1O)OC)O)C(=O)C=CC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)CC(=O)OC1=C(C(=C(C(=C1O)OC)O)C(=O)/C=C/C2=CC=CC=C2)OC

InChI

InChI=1S/C22H24O7/c1-13(2)12-16(24)29-22-19(26)21(28-4)18(25)17(20(22)27-3)15(23)11-10-14-8-6-5-7-9-14/h5-11,13,25-26H,12H2,1-4H3/b11-10+