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

Systemtic Name: [3-[2-(6-methylpyridin-2-yl)ethynyl]phenyl] 3-iodanylbenzoate Openeye Name: [3-[2-(6-methyl-2-pyridyl)ethynyl]phenyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [3-[2-(6-methyl-2-pyridinyl)ethynyl]phenyl] ester IUPAC Name: [3-[2-(6-methylpyridin-2-yl)ethynyl]phenyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [3-[2-(6-methyl-2-pyridyl)ethynyl]phenyl] ester Formula: C21H14INO2 MolecularWeight: 439.24583

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C21H14INO2/c1-15-5-2-9-19(23-15)12-11-16-6-3-10-20(13-16)25-21(24)17-7-4-8-18(22)14-17/h2-10,13-14H,1H3