[2,6-dimethyl-4-[2-(4-methylphenyl)ethynyl]phenyl] 2-methylbutanoate

Systemtic Name: [2,6-dimethyl-4-[2-(4-methylphenyl)ethynyl]phenyl] 2-methylbutanoate Openeye Name: [2,6-dimethyl-4-[2-(p-tolyl)ethynyl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2,6-dimethyl-4-[2-(4-methylphenyl)ethynyl]phenyl] ester IUPAC Name: [2,6-dimethyl-4-[2-(4-methylphenyl)ethynyl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2,6-dimethyl-4-[2-(p-tolyl)ethynyl]phenyl] ester Formula: C22H24O2 MolecularWeight: 320.42476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=C(C=C(C=C1C)C#CC2=CC=C(C=C2)C)C

Isomeric SMILES

CCC(C)C(=O)OC1=C(C=C(C=C1C)C#CC2=CC=C(C=C2)C)C

InChI

InChI=1S/C22H24O2/c1-6-16(3)22(23)24-21-17(4)13-20(14-18(21)5)12-11-19-9-7-15(2)8-10-19/h7-10,13-14,16H,6H2,1-5H3