4-[5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C21H21FN2O5 MolecularWeight: 400.400243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O5/c1-28-18-8-5-14(11-19(18)29-2)16-12-17(13-3-6-15(22)7-4-13)24(23-16)20(25)9-10-21(26)27/h3-8,11,17H,9-10,12H2,1-2H3,(H,26,27)