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

Systemtic Name: [4-[2-(3-acetamidophenyl)ethynyl]phenyl] 2-methylbutanoate Openeye Name: [4-[2-(3-acetamidophenyl)ethynyl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-[2-(3-acetamidophenyl)ethynyl]phenyl] ester IUPAC Name: [4-[2-(3-acetamidophenyl)ethynyl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-[2-(3-acetamidophenyl)ethynyl]phenyl] ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-4-15(2)21(24)25-20-12-10-17(11-13-20)8-9-18-6-5-7-19(14-18)22-16(3)23/h5-7,10-15H,4H2,1-3H3,(H,22,23)