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

Systemtic Name: [3-methyl-4-(2-phenylethynyl)phenyl] 2-methylbutanoate Openeye Name: [3-methyl-4-(2-phenylethynyl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [3-methyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-methyl-4-(2-phenylethynyl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [3-methyl-4-(2-phenylethynyl)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/c1-4-15(2)20(21)22-19-13-12-18(16(3)14-19)11-10-17-8-6-5-7-9-17/h5-9,12-15H,4H2,1-3H3