4-(1-heptylpyrazol-4-yl)benzoic acid

Systemtic Name: 4-(1-heptylpyrazol-4-yl)benzoic acid Openeye Name: 4-(1-heptylpyrazol-4-yl)benzoic acid CAS Name: 4-(1-heptyl-4-pyrazolyl)benzoic acid IUPAC Name: 4-(1-heptylpyrazol-4-yl)benzoic acid Traditional Name: 4-(1-heptylpyrazol-4-yl)benzoic acid Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=C(C=N1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCN1C=C(C=N1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H22N2O2/c1-2-3-4-5-6-11-19-13-16(12-18-19)14-7-9-15(10-8-14)17(20)21/h7-10,12-13H,2-6,11H2,1H3,(H,20,21)