[4-(2-naphthalen-2-ylethynyl)phenyl] 2-methylbutanoate

Systemtic Name: [4-(2-naphthalen-2-ylethynyl)phenyl] 2-methylbutanoate Openeye Name: [4-[2-(2-naphthyl)ethynyl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-[2-(2-naphthalenyl)ethynyl]phenyl] ester IUPAC Name: [4-(2-naphthalen-2-ylethynyl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-[2-(2-naphthyl)ethynyl]phenyl] ester Formula: C23H20O2 MolecularWeight: 328.4037

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=CC=C(C=C1)C#CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C)C(=O)OC1=CC=C(C=C1)C#CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H20O2/c1-3-17(2)23(24)25-22-14-11-18(12-15-22)8-9-19-10-13-20-6-4-5-7-21(20)16-19/h4-7,10-17H,3H2,1-2H3