2-methylpropyl 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 2-methylpropyl 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: isobutyl 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid isobutyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2/c1-15(2)14-25-21(24)19-13-23(18-7-5-4-6-8-18)22-20(19)17-11-9-16(3)10-12-17/h4-13,15H,14H2,1-3H3