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

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 3-(4-methylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 1-benzyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(p-tolyl)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=CC=C(C=C1)C2=NN(C=C2C(=O)OC3CCOC3=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)O[C@H]3CCOC3=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O4/c1-15-7-9-17(10-8-15)20-18(21(25)28-19-11-12-27-22(19)26)14-24(23-20)13-16-5-3-2-4-6-16/h2-10,14,19H,11-13H2,1H3/t19-/m0/s1