3-(3-butan-2-yl-4-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(3-butan-2-yl-4-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(4-ethoxy-3-sec-butyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(3-butan-2-yl-4-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(3-butan-2-yl-4-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(4-ethoxy-3-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=C(C=CC(=C1)C2=NNC(=C2)C(=O)O)OCC

Isomeric SMILES

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

InChI

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