(Z)-2-(1,3-benzodioxol-5-yl)-4-(2-methoxyphenyl)-4-oxidanylidene-3-(phenylmethyl)but-2-enoic acid

Systemtic Name: (Z)-2-(1,3-benzodioxol-5-yl)-4-(2-methoxyphenyl)-4-oxidanylidene-3-(phenylmethyl)but-2-enoic acid Openeye Name: (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-(2-methoxyphenyl)-4-oxo-but-2-enoic acid CAS Name: (Z)-2-(1,3-benzodioxol-5-yl)-4-(2-methoxyphenyl)-4-oxo-3-(phenylmethyl)-2-butenoic acid IUPAC Name: (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-(2-methoxyphenyl)-4-oxobut-2-enoic acid Traditional Name: (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-keto-4-(2-methoxyphenyl)but-2-enoic acid Formula: C25H20O6 MolecularWeight: 416.4227

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C(=C(C2=CC3=C(C=C2)OCO3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)/C(=C(/C2=CC3=C(C=C2)OCO3)\C(=O)O)/CC4=CC=CC=C4

InChI

InChI=1S/C25H20O6/c1-29-20-10-6-5-9-18(20)24(26)19(13-16-7-3-2-4-8-16)23(25(27)28)17-11-12-21-22(14-17)31-15-30-21/h2-12,14H,13,15H2,1H3,(H,27,28)/b23-19-