4-[3-(2,4-dimethoxyphenyl)-5-ethoxycarbonyl-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[3-(2,4-dimethoxyphenyl)-5-ethoxycarbonyl-pyrazol-1-yl]benzoic acid Openeye Name: 4-[3-(2,4-dimethoxyphenyl)-5-ethoxycarbonyl-pyrazol-1-yl]benzoic acid CAS Name: 4-[3-(2,4-dimethoxyphenyl)-5-ethoxycarbonyl-1-pyrazolyl]benzoic acid IUPAC Name: 4-[3-(2,4-dimethoxyphenyl)-5-ethoxycarbonylpyrazol-1-yl]benzoic acid Traditional Name: 4-[5-carbethoxy-3-(2,4-dimethoxyphenyl)pyrazol-1-yl]benzoic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C2=CC=C(C=C2)C(=O)O)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C2=CC=C(C=C2)C(=O)O)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H20N2O6/c1-4-29-21(26)18-12-17(16-10-9-15(27-2)11-19(16)28-3)22-23(18)14-7-5-13(6-8-14)20(24)25/h5-12H,4H2,1-3H3,(H,24,25)