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

Systemtic Name: 3-[4-(3-dodecyl-5-oxidanylidene-pyrazol-4-yl)phenyl]propanoic acid Openeye Name: 3-[4-(3-dodecyl-5-oxo-pyrazol-4-yl)phenyl]propanoic acid CAS Name: 3-[4-(3-dodecyl-5-oxo-4-pyrazolyl)phenyl]propanoic acid IUPAC Name: 3-[4-(3-dodecyl-5-oxopyrazol-4-yl)phenyl]propanoic acid Traditional Name: 3-[4-(3-keto-5-lauryl-pyrazol-4-yl)phenyl]propionic acid Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-21-23(24(29)26-25-21)20-16-13-19(14-17-20)15-18-22(27)28/h13-14,16-17H,2-12,15,18H2,1H3,(H,27,28)