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

Systemtic Name: [3-[2-(6-methylpyridin-2-yl)ethynyl]phenyl] 4-phenylbutanoate Openeye Name: [3-[2-(6-methyl-2-pyridyl)ethynyl]phenyl] 4-phenylbutanoate CAS Name: 4-phenylbutanoic acid [3-[2-(6-methyl-2-pyridinyl)ethynyl]phenyl] ester IUPAC Name: [3-[2-(6-methylpyridin-2-yl)ethynyl]phenyl] 4-phenylbutanoate Traditional Name: 4-phenylbutyric acid [3-[2-(6-methyl-2-pyridyl)ethynyl]phenyl] ester Formula: C24H21NO2 MolecularWeight: 355.42904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C#CC2=CC(=CC=C2)OC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=N1)C#CC2=CC(=CC=C2)OC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H21NO2/c1-19-8-5-13-22(25-19)17-16-21-12-6-14-23(18-21)27-24(26)15-7-11-20-9-3-2-4-10-20/h2-6,8-10,12-14,18H,7,11,15H2,1H3