(phenylmethyl) 5-(2-methylpropyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (phenylmethyl) 5-(2-methylpropyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: benzyl 5-isobutyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-(2-methylpropyl)-1-phenyl-4-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(2-methylpropyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 5-isobutyl-1-phenyl-pyrazole-4-carboxylic acid benzyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2/c1-16(2)13-20-19(14-22-23(20)18-11-7-4-8-12-18)21(24)25-15-17-9-5-3-6-10-17/h3-12,14,16H,13,15H2,1-2H3