4-oxidanylidene-2-phenyl-4-(4-pyrazol-1-ylphenyl)butanoic acid

Systemtic Name: 4-oxidanylidene-2-phenyl-4-(4-pyrazol-1-ylphenyl)butanoic acid Openeye Name: 4-oxo-2-phenyl-4-(4-pyrazol-1-ylphenyl)butanoic acid CAS Name: 4-oxo-2-phenyl-4-[4-(1-pyrazolyl)phenyl]butanoic acid IUPAC Name: 4-oxo-2-phenyl-4-(4-pyrazol-1-ylphenyl)butanoic acid Traditional Name: 4-keto-2-phenyl-4-(4-pyrazol-1-ylphenyl)butyric acid Formula: C19H16N2O3 MolecularWeight: 320.34194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)N3C=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)N3C=CC=N3)C(=O)O

InChI

InChI=1S/C19H16N2O3/c22-18(13-17(19(23)24)14-5-2-1-3-6-14)15-7-9-16(10-8-15)21-12-4-11-20-21/h1-12,17H,13H2,(H,23,24)