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

Systemtic Name: 4-[3-(2-fluorophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(2-fluorophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(2-fluorophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(2-fluorophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(2-fluorophenyl)-3-(4-methoxyphenyl)-3-pyrazolin-1-yl]-4-keto-butyric acid Formula: C20H19FN2O4 MolecularWeight: 370.374263

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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=C3F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(N(N2)C(=O)CCC(=O)O)C3=CC=CC=C3F

InChI

InChI=1S/C20H19FN2O4/c1-27-14-8-6-13(7-9-14)17-12-18(15-4-2-3-5-16(15)21)23(22-17)19(24)10-11-20(25)26/h2-9,12,18,22H,10-11H2,1H3,(H,25,26)