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

Systemtic Name: 4-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(4-methoxyphenyl)-3-(p-tolyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-(4-methoxyphenyl)-5-(p-tolyl)-2-pyrazolin-1-yl]butyric acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-14-3-5-16(6-4-14)19-13-18(15-7-9-17(27-2)10-8-15)22-23(19)20(24)11-12-21(25)26/h3-10,19H,11-13H2,1-2H3,(H,25,26)