3-[3,5-bis(chloranyl)phenyl]-1-(4-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-[3,5-bis(chloranyl)phenyl]-1-(4-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 3-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 3-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 3-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C20H18Cl2N2O3 MolecularWeight: 405.27452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N2O3/c1-3-4-17-18(20(25)26)19(12-9-13(21)11-14(22)10-12)23-24(17)15-5-7-16(27-2)8-6-15/h5-11H,3-4H2,1-2H3,(H,25,26)