4-(1,3-benzodioxol-5-yl)-3-methoxycarbonyl-4-(3,4,5-trimethoxyphenyl)but-3-enoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-methoxycarbonyl-4-(3,4,5-trimethoxyphenyl)but-3-enoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-methoxycarbonyl-4-(3,4,5-trimethoxyphenyl)but-3-enoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-3-methoxycarbonyl-4-(3,4,5-trimethoxyphenyl)-3-butenoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-methoxycarbonyl-4-(3,4,5-trimethoxyphenyl)but-3-enoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-carbomethoxy-4-(3,4,5-trimethoxyphenyl)but-3-enoic acid Formula: C22H22O9 MolecularWeight: 430.40468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O9/c1-26-17-8-13(9-18(27-2)21(17)28-3)20(14(10-19(23)24)22(25)29-4)12-5-6-15-16(7-12)31-11-30-15/h5-9H,10-11H2,1-4H3,(H,23,24)