ethyl 3-[4-(2-phenylethynyl)phenyl]carbonylpentanoate

Systemtic Name: ethyl 3-[4-(2-phenylethynyl)phenyl]carbonylpentanoate Openeye Name: ethyl 3-[4-(2-phenylethynyl)benzoyl]pentanoate CAS Name: 3-[oxo-[4-(2-phenylethynyl)phenyl]methyl]pentanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-phenylethynyl)benzoyl]pentanoate Traditional Name: 3-[4-(2-phenylethynyl)benzoyl]valeric acid ethyl ester Formula: C22H22O3 MolecularWeight: 334.40828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O3/c1-3-19(16-21(23)25-4-2)22(24)20-14-12-18(13-15-20)11-10-17-8-6-5-7-9-17/h5-9,12-15,19H,3-4,16H2,1-2H3