3-[4-(5-dodecyl-3-oxidanylidene-1H-pyrazol-2-yl)phenyl]propanoic acid

Systemtic Name: 3-[4-(5-dodecyl-3-oxidanylidene-1H-pyrazol-2-yl)phenyl]propanoic acid Openeye Name: 3-[4-(5-dodecyl-3-oxo-1H-pyrazol-2-yl)phenyl]propanoic acid CAS Name: 3-[4-(5-dodecyl-3-oxo-1H-pyrazol-2-yl)phenyl]propanoic acid IUPAC Name: 3-[4-(5-dodecyl-3-oxo-1H-pyrazol-2-yl)phenyl]propanoic acid Traditional Name: 3-[4-(5-keto-3-lauryl-3-pyrazolin-1-yl)phenyl]propionic acid Formula: C24H36N2O3 MolecularWeight: 400.55424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=O)N(N1)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=O)N(N1)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C24H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-21-19-23(27)26(25-21)22-16-13-20(14-17-22)15-18-24(28)29/h13-14,16-17,19,25H,2-12,15,18H2,1H3,(H,28,29)