1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-(4-octylphenoxy)-2-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-(4-octylphenoxy)-2-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-(4-octylphenoxy)-2-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-keto-3-(4-octylphenoxy)propyl]pyrazole-4-carboxylic acid Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=C(C=N2)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C21H28N2O4/c1-2-3-4-5-6-7-8-17-9-11-20(12-10-17)27-16-19(24)15-23-14-18(13-22-23)21(25)26/h9-14H,2-8,15-16H2,1H3,(H,25,26)