[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl] 3,3-dimethylbutanoate

Systemtic Name: [2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl] 3,3-dimethylbutanoate Openeye Name: [5-phenyl-2-(p-tolyl)pyrazol-3-yl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-(4-methylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-phenylpyrazol-3-yl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [5-phenyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)CC(C)(C)C

InChI

InChI=1S/C22H24N2O2/c1-16-10-12-18(13-11-16)24-20(26-21(25)15-22(2,3)4)14-19(23-24)17-8-6-5-7-9-17/h5-14H,15H2,1-4H3