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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-ethoxycarbonyl-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-ethoxycarbonyl-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-ethoxycarbonyl-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-ethoxycarbonyl-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-carbethoxy-2-(3,4,5-trimethoxybenzyl)butyric acid Formula: C24H28O9 MolecularWeight: 460.47372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC2=C(C=C1)OCO2)(CC3=CC(=C(C(=C3)OC)OC)OC)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC2=C(C=C1)OCO2)(CC3=CC(=C(C(=C3)OC)OC)OC)C(=O)O

InChI

InChI=1S/C24H28O9/c1-5-31-23(27)24(22(25)26,9-8-15-6-7-17-18(10-15)33-14-32-17)13-16-11-19(28-2)21(30-4)20(12-16)29-3/h6-7,10-12H,5,8-9,13-14H2,1-4H3,(H,25,26)