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

Systemtic Name: 4-oxidanylidene-4-[4-(2-phenylethynyl)phenyl]-3-(phenylmethyl)butanoic acid Openeye Name: 3-benzyl-4-oxo-4-[4-(2-phenylethynyl)phenyl]butanoic acid CAS Name: 4-oxo-4-[4-(2-phenylethynyl)phenyl]-3-(phenylmethyl)butanoic acid IUPAC Name: 3-benzyl-4-oxo-4-[4-(2-phenylethynyl)phenyl]butanoic acid Traditional Name: 3-benzyl-4-keto-4-[4-(2-phenylethynyl)phenyl]butyric acid Formula: C25H20O3 MolecularWeight: 368.4245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20O3/c26-24(27)18-23(17-21-9-5-2-6-10-21)25(28)22-15-13-20(14-16-22)12-11-19-7-3-1-4-8-19/h1-10,13-16,23H,17-18H2,(H,26,27)