4-[5-(4-ethylphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(4-ethylphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(4-ethylphenyl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(4-ethylphenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(4-ethylphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(4-ethylphenyl)-5-(2-furyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)CCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)CCC(=O)O

InChI

InChI=1S/C19H20N2O4/c1-2-13-5-7-14(8-6-13)15-12-16(17-4-3-11-25-17)21(20-15)18(22)9-10-19(23)24/h3-8,11,16H,2,9-10,12H2,1H3,(H,23,24)