3-[4-(2-phenylethynyl)phenyl]carbonylpentanoic acid

Systemtic Name: 3-[4-(2-phenylethynyl)phenyl]carbonylpentanoic acid Openeye Name: 3-[4-(2-phenylethynyl)benzoyl]pentanoic acid CAS Name: 3-[oxo-[4-(2-phenylethynyl)phenyl]methyl]pentanoic acid IUPAC Name: 3-[4-(2-phenylethynyl)benzoyl]pentanoic acid Traditional Name: 3-[4-(2-phenylethynyl)benzoyl]valeric acid Formula: C20H18O3 MolecularWeight: 306.35512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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