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

Systemtic Name: 4-[(3R)-3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-oxo-4-[(3R)-5-phenyl-3-(p-tolyl)-3,4-dihydropyrazol-2-yl]butanoate CAS Name: 4-[(3R)-3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3R)-3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(5R)-3-phenyl-5-(p-tolyl)-2-pyrazolin-1-yl]butyrate Formula: C20H19N2O3- MolecularWeight: 335.37646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3/c1-14-7-9-16(10-8-14)18-13-17(15-5-3-2-4-6-15)21-22(18)19(23)11-12-20(24)25/h2-10,18H,11-13H2,1H3,(H,24,25)/p-1/t18-/m1/s1