1-[[5-chloranyl-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[[5-chloranyl-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-isobutoxy-phenyl)methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-(5-chloro-2-isobutoxy-benzyl)-5-methyl-pyrazole-3-carboxylic acid Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(C=CC(=C2)Cl)OCC(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=NN1CC2=C(C=CC(=C2)Cl)OCC(C)C)C(=O)O

InChI

InChI=1S/C16H19ClN2O3/c1-10(2)9-22-15-5-4-13(17)7-12(15)8-19-11(3)6-14(18-19)16(20)21/h4-7,10H,8-9H2,1-3H3,(H,20,21)