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

Systemtic Name: 4-[5-(4-methoxyphenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(4-methoxyphenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(4-methoxyphenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(4-methoxyphenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-(4-methoxyphenyl)-5-phenyl-3-pyrazolin-1-yl]butyric acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(N(N2)C(=O)CCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(N(N2)C(=O)CCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4/c1-26-16-9-7-14(8-10-16)17-13-18(15-5-3-2-4-6-15)22(21-17)19(23)11-12-20(24)25/h2-10,13,18,21H,11-12H2,1H3,(H,24,25)