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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=CC=C3

InChI

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