2-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-4-oxo-4-(p-tolyl)butanoic acid CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-(4-methylphenyl)-4-oxobutanoic acid IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)-4-oxobutanoic acid Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-keto-4-(p-tolyl)butyric acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)N2C(=CC(=N2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)N2C(=CC(=N2)C)C

InChI

InChI=1S/C16H18N2O3/c1-10-4-6-13(7-5-10)15(19)9-14(16(20)21)18-12(3)8-11(2)17-18/h4-8,14H,9H2,1-3H3,(H,20,21)