ethyl 5-butoxy-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-butoxy-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-butoxy-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxylate CAS Name: 5-butoxy-1-[(4-chlorophenyl)methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butoxy-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxylate Traditional Name: 5-butoxy-1-(4-chlorobenzyl)pyrazole-3-carboxylic acid ethyl ester Formula: C17H21ClN2O3 MolecularWeight: 336.81324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=NN1CC2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC(=NN1CC2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C17H21ClN2O3/c1-3-5-10-23-16-11-15(17(21)22-4-2)19-20(16)12-13-6-8-14(18)9-7-13/h6-9,11H,3-5,10,12H2,1-2H3