(E)-3-[2-(3,4,5-trimethoxyphenyl)carbonyl-1-benzofuran-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(3,4,5-trimethoxyphenyl)carbonyl-1-benzofuran-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(3,4,5-trimethoxybenzoyl)benzofuran-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-[oxo-(3,4,5-trimethoxyphenyl)methyl]-5-benzofuranyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(3,4,5-trimethoxybenzoyl)benzofuran-5-yl]acrylic acid Formula: C21H18O7 MolecularWeight: 382.36342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC3=C(O2)C=CC(=C3)C=CC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC3=C(O2)C=CC(=C3)/C=C/C(=O)O

InChI

InChI=1S/C21H18O7/c1-25-17-10-14(11-18(26-2)21(17)27-3)20(24)16-9-13-8-12(5-7-19(22)23)4-6-15(13)28-16/h4-11H,1-3H3,(H,22,23)/b7-5+