4-[(E)-3-(4-pyrimidin-5-ylphenyl)prop-2-enoyl]benzoic acid

Systemtic Name: 4-[(E)-3-(4-pyrimidin-5-ylphenyl)prop-2-enoyl]benzoic acid Openeye Name: 4-[(E)-3-(4-pyrimidin-5-ylphenyl)prop-2-enoyl]benzoic acid CAS Name: 4-[(E)-1-oxo-3-[4-(5-pyrimidinyl)phenyl]prop-2-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(4-pyrimidin-5-ylphenyl)prop-2-enoyl]benzoic acid Traditional Name: 4-[(E)-3-[4-(5-pyrimidyl)phenyl]acryloyl]benzoic acid Formula: C20H14N2O3 MolecularWeight: 330.33676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)C(=O)O)C3=CN=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H14N2O3/c23-19(16-6-8-17(9-7-16)20(24)25)10-3-14-1-4-15(5-2-14)18-11-21-13-22-12-18/h1-13H,(H,24,25)/b10-3+