(3,3-dimethyl-2-oxidanylidene-butyl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-4-pyrazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H23FN2O4 MolecularWeight: 410.438123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CN(N=C1C2=CC(=CC=C2)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CN(N=C1C2=CC(=CC=C2)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H23FN2O4/c1-23(2,3)20(27)14-30-22(28)19-13-26(17-10-8-16(24)9-11-17)25-21(19)15-6-5-7-18(12-15)29-4/h5-13H,14H2,1-4H3