3-[(4-fluorophenyl)methyl]-4-oxidanylidene-4-[4-(2-phenylethynyl)phenyl]butanoic acid

Systemtic Name: 3-[(4-fluorophenyl)methyl]-4-oxidanylidene-4-[4-(2-phenylethynyl)phenyl]butanoic acid Openeye Name: 3-[(4-fluorophenyl)methyl]-4-oxo-4-[4-(2-phenylethynyl)phenyl]butanoic acid CAS Name: 3-[(4-fluorophenyl)methyl]-4-oxo-4-[4-(2-phenylethynyl)phenyl]butanoic acid IUPAC Name: 3-[(4-fluorophenyl)methyl]-4-oxo-4-[4-(2-phenylethynyl)phenyl]butanoic acid Traditional Name: 3-(4-fluorobenzyl)-4-keto-4-[4-(2-phenylethynyl)phenyl]butyric acid Formula: C25H19FO3 MolecularWeight: 386.414963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)C(CC3=CC=C(C=C3)F)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)C(CC3=CC=C(C=C3)F)CC(=O)O

InChI

InChI=1S/C25H19FO3/c26-23-14-10-20(11-15-23)16-22(17-24(27)28)25(29)21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18/h1-5,8-15,22H,16-17H2,(H,27,28)