4-[3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(1,3-benzodioxol-5-yl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(1,3-benzodioxol-5-yl)-3-(p-tolyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=C(C=C3)OCO4)C(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=C(C=C3)OCO4)C(=O)CCC(=O)O

InChI

InChI=1S/C21H20N2O5/c1-13-2-4-14(5-3-13)16-11-17(23(22-16)20(24)8-9-21(25)26)15-6-7-18-19(10-15)28-12-27-18/h2-7,10,17H,8-9,11-12H2,1H3,(H,25,26)