[3-[2-(6-methylpyridin-2-yl)ethynyl]phenyl] 4-bromanylbutanoate

Systemtic Name: [3-[2-(6-methylpyridin-2-yl)ethynyl]phenyl] 4-bromanylbutanoate Openeye Name: [3-[2-(6-methyl-2-pyridyl)ethynyl]phenyl] 4-bromobutanoate CAS Name: 4-bromobutanoic acid [3-[2-(6-methyl-2-pyridinyl)ethynyl]phenyl] ester IUPAC Name: [3-[2-(6-methylpyridin-2-yl)ethynyl]phenyl] 4-bromobutanoate Traditional Name: 4-bromobutyric acid [3-[2-(6-methyl-2-pyridyl)ethynyl]phenyl] ester Formula: C18H16BrNO2 MolecularWeight: 358.22914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrNO2/c1-14-5-2-7-16(20-14)11-10-15-6-3-8-17(13-15)22-18(21)9-4-12-19/h2-3,5-8,13H,4,9,12H2,1H3