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

Systemtic Name: 4-[5-(4-methoxyphenyl)-3-(2-phenylethenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(4-methoxyphenyl)-3-styryl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(4-methoxyphenyl)-3-(2-phenylethenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(4-methoxyphenyl)-3-(2-phenylethenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-(4-methoxyphenyl)-5-styryl-2-pyrazolin-1-yl]butyric acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C=CC3=CC=CC=C3)C(=O)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C=CC3=CC=CC=C3)C(=O)CCC(=O)O

InChI

InChI=1S/C22H22N2O4/c1-28-19-11-8-17(9-12-19)20-15-18(10-7-16-5-3-2-4-6-16)24(23-20)21(25)13-14-22(26)27/h2-12,18H,13-15H2,1H3,(H,26,27)