[(3S)-2-oxidanylideneoxolan-3-yl] 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4/c1-14-8-9-16(12-15(14)2)20-18(21(25)28-19-10-11-27-22(19)26)13-24(23-20)17-6-4-3-5-7-17/h3-9,12-13,19H,10-11H2,1-2H3/t19-/m0/s1