4-(5-butyl-1H-pyrazol-3-yl)benzoic acid

Systemtic Name: 4-(5-butyl-1H-pyrazol-3-yl)benzoic acid Openeye Name: 4-(5-butyl-1H-pyrazol-3-yl)benzoic acid CAS Name: 4-(5-butyl-1H-pyrazol-3-yl)benzoic acid IUPAC Name: 4-(5-butyl-1H-pyrazol-3-yl)benzoic acid Traditional Name: 4-(5-butyl-1H-pyrazol-3-yl)benzoic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NN1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCC1=CC(=NN1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H16N2O2/c1-2-3-4-12-9-13(16-15-12)10-5-7-11(8-6-10)14(17)18/h5-9H,2-4H2,1H3,(H,15,16)(H,17,18)