4-[(3R)-5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3R)-5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3R)-5-(4-bromophenyl)-3-(p-tolyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[(3R)-5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[(3R)-5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[(5R)-3-(4-bromophenyl)-5-(p-tolyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O3/c1-13-2-4-15(5-3-13)18-12-17(14-6-8-16(21)9-7-14)22-23(18)19(24)10-11-20(25)26/h2-9,18H,10-12H2,1H3,(H,25,26)/t18-/m1/s1