methyl 3-oxidanylidene-2-[[2-(2-phenylethynyl)phenyl]methyl]butanoate

Systemtic Name: methyl 3-oxidanylidene-2-[[2-(2-phenylethynyl)phenyl]methyl]butanoate Openeye Name: methyl 3-oxo-2-[[2-(2-phenylethynyl)phenyl]methyl]butanoate CAS Name: 3-oxo-2-[[2-(2-phenylethynyl)phenyl]methyl]butanoic acid methyl ester IUPAC Name: methyl 3-oxo-2-[[2-(2-phenylethynyl)phenyl]methyl]butanoate Traditional Name: 3-keto-2-[2-(2-phenylethynyl)benzyl]butyric acid methyl ester Formula: C20H18O3 MolecularWeight: 306.35512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1C#CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1C#CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H18O3/c1-15(21)19(20(22)23-2)14-18-11-7-6-10-17(18)13-12-16-8-4-3-5-9-16/h3-11,19H,14H2,1-2H3