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

Systemtic Name: 1-[1-[5-chloranyl-2-(2-methylpropoxy)phenyl]ethyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[1-(5-chloro-2-isobutoxy-phenyl)ethyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[1-[5-chloro-2-(2-methylpropoxy)phenyl]ethyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[1-[5-chloro-2-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-[1-(5-chloro-2-isobutoxy-phenyl)ethyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C17H21ClN2O3 MolecularWeight: 336.81324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)C2=C(C=CC(=C2)Cl)OCC(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=NN1C(C)C2=C(C=CC(=C2)Cl)OCC(C)C)C(=O)O

InChI

InChI=1S/C17H21ClN2O3/c1-10(2)9-23-16-6-5-13(18)8-14(16)12(4)20-11(3)7-15(19-20)17(21)22/h5-8,10,12H,9H2,1-4H3,(H,21,22)