(5-tert-butyl-2-phenyl-pyrazol-3-yl) 4-methylbenzoate

Systemtic Name: (5-tert-butyl-2-phenyl-pyrazol-3-yl) 4-methylbenzoate Openeye Name: (5-tert-butyl-2-phenyl-pyrazol-3-yl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid (5-tert-butyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-tert-butyl-2-phenylpyrazol-3-yl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (5-tert-butyl-2-phenyl-pyrazol-3-yl) ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C21H22N2O2/c1-15-10-12-16(13-11-15)20(24)25-19-14-18(21(2,3)4)22-23(19)17-8-6-5-7-9-17/h5-14H,1-4H3