[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C21H19FN2O3 MolecularWeight: 366.385563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN2O3/c1-15-12-13-23-24(15)19-10-6-17(7-11-19)21(26)27-14-2-3-20(25)16-4-8-18(22)9-5-16/h4-13H,2-3,14H2,1H3