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

Systemtic Name: 2-[5-(4-heptylphenyl)-1H-pyrazol-4-yl]propanoic acid Openeye Name: 2-[5-(4-heptylphenyl)-1H-pyrazol-4-yl]propanoic acid CAS Name: 2-[5-(4-heptylphenyl)-1H-pyrazol-4-yl]propanoic acid IUPAC Name: 2-[5-(4-heptylphenyl)-1H-pyrazol-4-yl]propanoic acid Traditional Name: 2-[5-(4-heptylphenyl)-1H-pyrazol-4-yl]propionic acid Formula: C19H26N2O2 MolecularWeight: 314.42194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=C(C=NN2)C(C)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=C(C=NN2)C(C)C(=O)O

InChI

InChI=1S/C19H26N2O2/c1-3-4-5-6-7-8-15-9-11-16(12-10-15)18-17(13-20-21-18)14(2)19(22)23/h9-14H,3-8H2,1-2H3,(H,20,21)(H,22,23)