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

Systemtic Name: (2R)-2-(3,5-dimethylpyrazol-1-yl)-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: (2R)-2-(3,5-dimethylpyrazol-1-yl)-4-oxo-4-phenyl-butanoic acid CAS Name: (2R)-2-(3,5-dimethyl-1-pyrazolyl)-4-oxo-4-phenylbutanoic acid IUPAC Name: (2R)-2-(3,5-dimethylpyrazol-1-yl)-4-oxo-4-phenylbutanoic acid Traditional Name: (2R)-2-(3,5-dimethylpyrazol-1-yl)-4-keto-4-phenyl-butyric acid Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(CC(=O)C2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1[C@H](CC(=O)C2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C15H16N2O3/c1-10-8-11(2)17(16-10)13(15(19)20)9-14(18)12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3,(H,19,20)/t13-/m1/s1