4-[2-(4-pyrimidin-5-ylphenyl)prop-2-enoyl]benzoic acid

Systemtic Name: 4-[2-(4-pyrimidin-5-ylphenyl)prop-2-enoyl]benzoic acid Openeye Name: 4-[2-(4-pyrimidin-5-ylphenyl)prop-2-enoyl]benzoic acid CAS Name: 4-[1-oxo-2-[4-(5-pyrimidinyl)phenyl]prop-2-enyl]benzoic acid IUPAC Name: 4-[2-(4-pyrimidin-5-ylphenyl)prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[4-(5-pyrimidyl)phenyl]acryloyl]benzoic acid Formula: C20H14N2O3 MolecularWeight: 330.33676

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=C(C=C1)C2=CN=CN=C2)C(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C=C(C1=CC=C(C=C1)C2=CN=CN=C2)C(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H14N2O3/c1-13(19(23)16-6-8-17(9-7-16)20(24)25)14-2-4-15(5-3-14)18-10-21-12-22-11-18/h2-12H,1H2,(H,24,25)