(2R)-2-[3,5-dimethyl-4-(phenylmethyl)pyrazol-1-yl]-4-oxidanylidene-4-phenyl-butanoic acid

Systemtic Name: (2R)-2-[3,5-dimethyl-4-(phenylmethyl)pyrazol-1-yl]-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: (2R)-2-(4-benzyl-3,5-dimethyl-pyrazol-1-yl)-4-oxo-4-phenyl-butanoic acid CAS Name: (2R)-2-[3,5-dimethyl-4-(phenylmethyl)-1-pyrazolyl]-4-oxo-4-phenylbutanoic acid IUPAC Name: (2R)-2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-4-oxo-4-phenylbutanoic acid Traditional Name: (2R)-2-(4-benzyl-3,5-dimethyl-pyrazol-1-yl)-4-keto-4-phenyl-butyric acid Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(CC(=O)C2=CC=CC=C2)C(=O)O)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1[C@H](CC(=O)C2=CC=CC=C2)C(=O)O)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3/c1-15-19(13-17-9-5-3-6-10-17)16(2)24(23-15)20(22(26)27)14-21(25)18-11-7-4-8-12-18/h3-12,20H,13-14H2,1-2H3,(H,26,27)/t20-/m1/s1