3-bromanyl-6-(4,6-dimethoxypyrimidin-2-yl)oxy-2-[(E)-2-phenylethenyl]benzoic acid

Systemtic Name: 3-bromanyl-6-(4,6-dimethoxypyrimidin-2-yl)oxy-2-[(E)-2-phenylethenyl]benzoic acid Openeye Name: 3-bromo-6-(4,6-dimethoxypyrimidin-2-yl)oxy-2-[(E)-styryl]benzoic acid CAS Name: 3-bromo-6-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-[(E)-2-phenylethenyl]benzoic acid IUPAC Name: 3-bromo-6-(4,6-dimethoxypyrimidin-2-yl)oxy-2-[(E)-2-phenylethenyl]benzoic acid Traditional Name: 3-bromo-6-(4,6-dimethoxypyrimidin-2-yl)oxy-2-[(E)-styryl]benzoic acid Formula: C21H17BrN2O5 MolecularWeight: 457.27408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=C(C(=C(C=C2)Br)C=CC3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=C(C(=C(C=C2)Br)/C=C/C3=CC=CC=C3)C(=O)O)OC

InChI

InChI=1S/C21H17BrN2O5/c1-27-17-12-18(28-2)24-21(23-17)29-16-11-10-15(22)14(19(16)20(25)26)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,25,26)/b9-8+