2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)butanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)butanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)butanoic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)butanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)butanoic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)butyric acid Formula: C19H20O6 MolecularWeight: 344.3585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(C2=CC3=C(C=C2)OCO3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(C2=CC3=C(C=C2)OCO3)C(=O)O)OC

InChI

InChI=1S/C19H20O6/c1-22-15-7-4-12(9-17(15)23-2)3-6-14(19(20)21)13-5-8-16-18(10-13)25-11-24-16/h4-5,7-10,14H,3,6,11H2,1-2H3,(H,20,21)