(Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxyphenyl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxyphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxyphenyl)-4-oxo-but-2-enoic acid CAS Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoic acid IUPAC Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid Traditional Name: (Z)-4-(3,4-dimethoxyphenyl)-4-keto-2-piperonyl-but-2-enoic acid Formula: C20H18O7 MolecularWeight: 370.35272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=C(CC2=CC3=C(C=C2)OCO3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C(/CC2=CC3=C(C=C2)OCO3)\C(=O)O)OC

InChI

InChI=1S/C20H18O7/c1-24-16-6-4-13(10-18(16)25-2)15(21)9-14(20(22)23)7-12-3-5-17-19(8-12)27-11-26-17/h3-6,8-10H,7,11H2,1-2H3,(H,22,23)/b14-9-