methyl 4-[2-(6-pyridin-2-ylpyridin-3-yl)ethynyl]benzoate

Systemtic Name: methyl 4-[2-(6-pyridin-2-ylpyridin-3-yl)ethynyl]benzoate Openeye Name: methyl 4-[2-[6-(2-pyridyl)-3-pyridyl]ethynyl]benzoate CAS Name: 4-[2-[6-(2-pyridinyl)-3-pyridinyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(6-pyridin-2-ylpyridin-3-yl)ethynyl]benzoate Traditional Name: 4-[2-[6-(2-pyridyl)-3-pyridyl]ethynyl]benzoic acid methyl ester Formula: C20H14N2O2 MolecularWeight: 314.33736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C#CC2=CN=C(C=C2)C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C#CC2=CN=C(C=C2)C3=CC=CC=N3

InChI

InChI=1S/C20H14N2O2/c1-24-20(23)17-10-7-15(8-11-17)5-6-16-9-12-19(22-14-16)18-4-2-3-13-21-18/h2-4,7-14H,1H3