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

Systemtic Name: 2-[5-(4-octylphenyl)-1H-pyrazol-4-yl]propanoic acid Openeye Name: 2-[5-(4-octylphenyl)-1H-pyrazol-4-yl]propanoic acid CAS Name: 2-[5-(4-octylphenyl)-1H-pyrazol-4-yl]propanoic acid IUPAC Name: 2-[5-(4-octylphenyl)-1H-pyrazol-4-yl]propanoic acid Traditional Name: 2-[5-(4-octylphenyl)-1H-pyrazol-4-yl]propionic acid Formula: C20H28N2O2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=C(C=NN2)C(C)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=C(C=NN2)C(C)C(=O)O

InChI

InChI=1S/C20H28N2O2/c1-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-18(14-21-22-19)15(2)20(23)24/h10-15H,3-9H2,1-2H3,(H,21,22)(H,23,24)