3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=C(C=C2)OC)C3=CC(=CC=C3)OC)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=C(C=C2)OC)C3=CC(=CC=C3)OC)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-4-6-18-19(21(24)25)20(14-7-5-8-17(13-14)27-3)22-23(18)15-9-11-16(26-2)12-10-15/h5,7-13H,4,6H2,1-3H3,(H,24,25)