[4-(2-phenylethynyl)phenyl] 2-methylbutanoate

Systemtic Name: [4-(2-phenylethynyl)phenyl] 2-methylbutanoate Openeye Name: [4-(2-phenylethynyl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-(2-phenylethynyl)phenyl] ester IUPAC Name: [4-(2-phenylethynyl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-(2-phenylethynyl)phenyl] ester Formula: C19H18O2 MolecularWeight: 278.34502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O2/c1-3-15(2)19(20)21-18-13-11-17(12-14-18)10-9-16-7-5-4-6-8-16/h4-8,11-15H,3H2,1-2H3