[4-[2-(3-methylphenyl)ethynyl]phenyl] 2-methylbutanoate

Systemtic Name: [4-[2-(3-methylphenyl)ethynyl]phenyl] 2-methylbutanoate Openeye Name: [4-[2-(m-tolyl)ethynyl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-[2-(3-methylphenyl)ethynyl]phenyl] ester IUPAC Name: [4-[2-(3-methylphenyl)ethynyl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-[2-(m-tolyl)ethynyl]phenyl] ester Formula: C20H20O2 MolecularWeight: 292.3716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=CC=C(C=C1)C#CC2=CC(=CC=C2)C

Isomeric SMILES

CCC(C)C(=O)OC1=CC=C(C=C1)C#CC2=CC(=CC=C2)C

InChI

InChI=1S/C20H20O2/c1-4-16(3)20(21)22-19-12-10-17(11-13-19)8-9-18-7-5-6-15(2)14-18/h5-7,10-14,16H,4H2,1-3H3