(2-butoxy-2-oxidanylidene-ethyl) 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-butoxy-2-oxo-ethyl) 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxylic acid (2-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylic acid (2-butoxy-2-keto-ethyl) ester Formula: C22H21FN2O4 MolecularWeight: 396.411543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O4/c1-2-3-13-28-20(26)15-29-22(27)19-14-25(18-7-5-4-6-8-18)24-21(19)16-9-11-17(23)12-10-16/h4-12,14H,2-3,13,15H2,1H3