[(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate

Systemtic Name: [(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Openeye Name: [(1R)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate CAS Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoic acid [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Traditional Name: 4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyric acid [(1R)-2-(4-fluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H21FN2O4 MolecularWeight: 396.411543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)F)OC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)F)OC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C22H21FN2O4/c1-15(22(28)17-7-9-18(23)10-8-17)29-21(27)12-11-20(26)25-14-13-19(24-25)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3/t15-/m1/s1