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

Systemtic Name: 2-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanoic acid Openeye Name: 2-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanoic acid CAS Name: 2-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanoic acid IUPAC Name: 2-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanoic acid Traditional Name: 2-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propionic acid Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(C=NN2)C(C)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(C=NN2)C(C)C(=O)O

InChI

InChI=1S/C16H20N2O2/c1-3-4-5-12-6-8-13(9-7-12)15-14(10-17-18-15)11(2)16(19)20/h6-11H,3-5H2,1-2H3,(H,17,18)(H,19,20)