2-(1,3-benzodioxol-5-ylmethyl)-3,3-bis(4-methoxyphenyl)prop-2-enoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3,3-bis(4-methoxyphenyl)prop-2-enoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3,3-bis(4-methoxyphenyl)prop-2-enoic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3,3-bis(4-methoxyphenyl)-2-propenoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3,3-bis(4-methoxyphenyl)prop-2-enoic acid Traditional Name: 3,3-bis(4-methoxyphenyl)-2-piperonyl-acrylic acid Formula: C25H22O6 MolecularWeight: 418.43858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=C(CC2=CC3=C(C=C2)OCO3)C(=O)O)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=C(CC2=CC3=C(C=C2)OCO3)C(=O)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H22O6/c1-28-19-8-4-17(5-9-19)24(18-6-10-20(29-2)11-7-18)21(25(26)27)13-16-3-12-22-23(14-16)31-15-30-22/h3-12,14H,13,15H2,1-2H3,(H,26,27)