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

Systemtic Name: 4-(1-octylpyrazol-4-yl)benzoic acid Openeye Name: 4-(1-octylpyrazol-4-yl)benzoic acid CAS Name: 4-(1-octyl-4-pyrazolyl)benzoic acid IUPAC Name: 4-(1-octylpyrazol-4-yl)benzoic acid Traditional Name: 4-(1-octylpyrazol-4-yl)benzoic acid Formula: C18H24N2O2 MolecularWeight: 300.39536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C(C=N1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCN1C=C(C=N1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H24N2O2/c1-2-3-4-5-6-7-12-20-14-17(13-19-20)15-8-10-16(11-9-15)18(21)22/h8-11,13-14H,2-7,12H2,1H3,(H,21,22)