(4-tert-butylphenyl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylic acid (4-tert-butylbenzyl) ester Formula: C27H25FN2O2 MolecularWeight: 428.498003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C27H25FN2O2/c1-27(2,3)21-13-9-19(10-14-21)18-32-26(31)24-17-30(23-7-5-4-6-8-23)29-25(24)20-11-15-22(28)16-12-20/h4-17H,18H2,1-3H3