2-[3-(carboxymethyl)-5-oxidanylidene-4H-pyrazol-1-yl]octadecanoic acid

Systemtic Name: 2-[3-(carboxymethyl)-5-oxidanylidene-4H-pyrazol-1-yl]octadecanoic acid Openeye Name: 2-[3-(carboxymethyl)-5-oxo-4H-pyrazol-1-yl]octadecanoic acid CAS Name: 2-[3-(carboxymethyl)-5-oxo-4H-pyrazol-1-yl]octadecanoic acid IUPAC Name: 2-[3-(carboxymethyl)-5-oxo-4H-pyrazol-1-yl]octadecanoic acid Traditional Name: 2-[3-(carboxymethyl)-5-keto-2-pyrazolin-1-yl]stearic acid Formula: C23H40N2O5 MolecularWeight: 424.5741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)O)N1C(=O)CC(=N1)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)O)N1C(=O)CC(=N1)CC(=O)O

InChI

InChI=1S/C23H40N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23(29)30)25-21(26)17-19(24-25)18-22(27)28/h20H,2-18H2,1H3,(H,27,28)(H,29,30)