2-[5-(4-hexylphenyl)-1H-pyrazol-4-yl]propanoic acid

Systemtic Name: 2-[5-(4-hexylphenyl)-1H-pyrazol-4-yl]propanoic acid Openeye Name: 2-[5-(4-hexylphenyl)-1H-pyrazol-4-yl]propanoic acid CAS Name: 2-[5-(4-hexylphenyl)-1H-pyrazol-4-yl]propanoic acid IUPAC Name: 2-[5-(4-hexylphenyl)-1H-pyrazol-4-yl]propanoic acid Traditional Name: 2-[5-(4-hexylphenyl)-1H-pyrazol-4-yl]propionic acid Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=C(C=NN2)C(C)C(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=C(C=NN2)C(C)C(=O)O

InChI

InChI=1S/C18H24N2O2/c1-3-4-5-6-7-14-8-10-15(11-9-14)17-16(12-19-20-17)13(2)18(21)22/h8-13H,3-7H2,1-2H3,(H,19,20)(H,21,22)