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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-4-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-4-keto-2-(3,4,5-trimethoxybenzyl)butyric acid Formula: C21H22O8 MolecularWeight: 402.39458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(CC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(CC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C21H22O8/c1-25-18-7-12(8-19(26-2)20(18)27-3)6-14(21(23)24)9-15(22)13-4-5-16-17(10-13)29-11-28-16/h4-5,7-8,10,14H,6,9,11H2,1-3H3,(H,23,24)