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

Systemtic Name: 3-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 3-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 3-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 3-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C20H19ClN2O3 MolecularWeight: 370.82946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O3/c1-3-4-17-18(20(24)25)19(13-5-7-14(21)8-6-13)22-23(17)15-9-11-16(26-2)12-10-15/h5-12H,3-4H2,1-2H3,(H,24,25)