(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C29H29FN2O2 MolecularWeight: 456.551163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)C)C(C)(C)C

InChI

InChI=1S/C29H29FN2O2/c1-19-15-22(29(3,4)5)16-20(2)26(19)18-34-28(33)25-17-32(24-9-7-6-8-10-24)31-27(25)21-11-13-23(30)14-12-21/h6-17H,18H2,1-5H3