[(3S)-2-oxidanylideneoxolan-3-yl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 1-(4-fluorophenyl)-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(4-methylphenyl)-4-pyrazolecarboxylic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-(p-tolyl)pyrazole-4-carboxylic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C21H17FN2O4 MolecularWeight: 380.369083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OC3CCOC3=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)O[C@H]3CCOC3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN2O4/c1-13-2-4-14(5-3-13)19-17(20(25)28-18-10-11-27-21(18)26)12-24(23-19)16-8-6-15(22)7-9-16/h2-9,12,18H,10-11H2,1H3/t18-/m0/s1