4-hexoxy-1-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-hexoxy-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: 4-hexoxy-1-phenyl-pyrazole-3-carboxylic acid CAS Name: 4-hexoxy-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 4-hexoxy-1-phenylpyrazole-3-carboxylic acid Traditional Name: 4-hexoxy-1-phenyl-pyrazole-3-carboxylic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN(N=C1C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1=CN(N=C1C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O3/c1-2-3-4-8-11-21-14-12-18(17-15(14)16(19)20)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,19,20)