1-[[2-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[[2-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[[2-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[[2-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[[2-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-[2-(2,4-dichlorobenzyl)oxy-5-methoxy-benzyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C20H18Cl2N2O4 MolecularWeight: 421.27392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(C=CC(=C2)OC)OCC3=C(C=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

CC1=CC(=NN1CC2=C(C=CC(=C2)OC)OCC3=C(C=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C20H18Cl2N2O4/c1-12-7-18(20(25)26)23-24(12)10-14-8-16(27-2)5-6-19(14)28-11-13-3-4-15(21)9-17(13)22/h3-9H,10-11H2,1-2H3,(H,25,26)