[3-[2-(6-methylpyridin-2-yl)ethynyl]phenyl] benzoate

Systemtic Name: [3-[2-(6-methylpyridin-2-yl)ethynyl]phenyl] benzoate Openeye Name: [3-[2-(6-methyl-2-pyridyl)ethynyl]phenyl] benzoate CAS Name: benzoic acid [3-[2-(6-methyl-2-pyridinyl)ethynyl]phenyl] ester IUPAC Name: [3-[2-(6-methylpyridin-2-yl)ethynyl]phenyl] benzoate Traditional Name: benzoic acid [3-[2-(6-methyl-2-pyridyl)ethynyl]phenyl] ester Formula: C21H15NO2 MolecularWeight: 313.3493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C#CC2=CC(=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=N1)C#CC2=CC(=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H15NO2/c1-16-7-5-11-19(22-16)14-13-17-8-6-12-20(15-17)24-21(23)18-9-3-2-4-10-18/h2-12,15H,1H3