(4-chloranyl-3,5-dimethyl-phenyl) 5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxylate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) 5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) 2-benzyl-5-tert-butyl-pyrazole-3-carboxylate CAS Name: 5-tert-butyl-2-(phenylmethyl)-3-pyrazolecarboxylic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) 2-benzyl-5-tert-butylpyrazole-3-carboxylate Traditional Name: 2-benzyl-5-tert-butyl-pyrazole-3-carboxylic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C23H25ClN2O2 MolecularWeight: 396.9098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=CC(=NN2CC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=CC(=NN2CC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C23H25ClN2O2/c1-15-11-18(12-16(2)21(15)24)28-22(27)19-13-20(23(3,4)5)25-26(19)14-17-9-7-6-8-10-17/h6-13H,14H2,1-5H3