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

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-4-(4-ethylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-4-(4-ethylphenyl)-4-oxo-butanoic acid CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-(4-ethylphenyl)-4-oxobutanoic acid IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-4-(4-ethylphenyl)-4-oxobutanoic acid Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-(4-ethylphenyl)-4-keto-butyric acid Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CC(C(=O)O)N2C(=CC(=N2)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CC(C(=O)O)N2C(=CC(=N2)C)C

InChI

InChI=1S/C17H20N2O3/c1-4-13-5-7-14(8-6-13)16(20)10-15(17(21)22)19-12(3)9-11(2)18-19/h5-9,15H,4,10H2,1-3H3,(H,21,22)