3-(5-butan-2-yl-2-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(5-butan-2-yl-2-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(2-ethoxy-5-sec-butyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(5-butan-2-yl-2-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(5-butan-2-yl-2-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(2-ethoxy-5-sec-butyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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