4-[2-[5-(2,4-dimethoxypyrimidin-5-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-[2-[5-(2,4-dimethoxypyrimidin-5-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[2-[5-(2,4-dimethoxypyrimidin-5-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[2-[5-(2,4-dimethoxy-5-pyrimidinyl)-2,4-dimethoxyphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-[5-(2,4-dimethoxypyrimidin-5-yl)-2,4-dimethoxyphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[5-(2,4-dimethoxypyrimidin-5-yl)-2,4-dimethoxy-phenyl]acryloyl]benzoic acid Formula: C24H22N2O7 MolecularWeight: 450.44068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CN=C(N=C2OC)OC)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2=CN=C(N=C2OC)OC)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C24H22N2O7/c1-13(21(27)14-6-8-15(9-7-14)23(28)29)16-10-17(20(31-3)11-19(16)30-2)18-12-25-24(33-5)26-22(18)32-4/h6-12H,1H2,2-5H3,(H,28,29)