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

Systemtic Name: 4-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(2,4-dimethoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H22N2O5/c1-27-15-8-9-16(19(12-15)28-2)18-13-17(14-6-4-3-5-7-14)22-23(18)20(24)10-11-21(25)26/h3-9,12,18H,10-11,13H2,1-2H3,(H,25,26)