1-(4-carboxy-2-cyclopropyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-carboxy-2-cyclopropyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-carboxy-2-cyclopropyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-(4-carboxy-2-cyclopropylphenyl)-5-(2,6-dimethoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-carboxy-2-cyclopropylphenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4-carboxy-2-cyclopropyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Formula: C22H20N2O6 MolecularWeight: 408.404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=C(C=C(C=C3)C(=O)O)C4CC4)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=C(C=C(C=C3)C(=O)O)C4CC4)C(=O)O

InChI

InChI=1S/C22H20N2O6/c1-29-18-4-3-5-19(30-2)20(18)17-11-15(22(27)28)23-24(17)16-9-8-13(21(25)26)10-14(16)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H,25,26)(H,27,28)