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

Systemtic Name: [3-methoxy-4-[2-(3-methylphenyl)ethynyl]phenyl] 2-methylbutanoate Openeye Name: [3-methoxy-4-[2-(m-tolyl)ethynyl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [3-methoxy-4-[2-(3-methylphenyl)ethynyl]phenyl] ester IUPAC Name: [3-methoxy-4-[2-(3-methylphenyl)ethynyl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [3-methoxy-4-[2-(m-tolyl)ethynyl]phenyl] ester Formula: C21H22O3 MolecularWeight: 322.39758

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22O3/c1-5-16(3)21(22)24-19-12-11-18(20(14-19)23-4)10-9-17-8-6-7-15(2)13-17/h6-8,11-14,16H,5H2,1-4H3