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

Systemtic Name: 1-[[2-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[[2-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[[2-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[[2-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-[2-(4-chlorobenzyl)oxy-5-methoxy-benzyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4/c1-13-9-18(20(24)25)22-23(13)11-15-10-17(26-2)7-8-19(15)27-12-14-3-5-16(21)6-4-14/h3-10H,11-12H2,1-2H3,(H,24,25)