ethyl 3-(4-butoxyphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 3-(4-butoxyphenyl)-1H-pyrazole-5-carboxylate Openeye Name: ethyl 3-(4-butoxyphenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-butoxyphenyl)-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-butoxyphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-butoxyphenyl)-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC

InChI

InChI=1S/C16H20N2O3/c1-3-5-10-21-13-8-6-12(7-9-13)14-11-15(18-17-14)16(19)20-4-2/h6-9,11H,3-5,10H2,1-2H3,(H,17,18)