4-(1,3-benzodioxol-5-yl)-3-methyl-4-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-4-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-4-keto-3-methyl-2-(3,4,5-trimethoxybenzyl)butyric acid Formula: C22H24O8 MolecularWeight: 416.42116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC(=C(C(=C1)OC)OC)OC)C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C(CC1=CC(=C(C(=C1)OC)OC)OC)C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H24O8/c1-12(20(23)14-5-6-16-17(10-14)30-11-29-16)15(22(24)25)7-13-8-18(26-2)21(28-4)19(9-13)27-3/h5-6,8-10,12,15H,7,11H2,1-4H3,(H,24,25)