2-(1-butyl-3,5-dimethyl-pyrazol-4-yl)ethanoic acid

Systemtic Name: 2-(1-butyl-3,5-dimethyl-pyrazol-4-yl)ethanoic acid Openeye Name: 2-(1-butyl-3,5-dimethyl-pyrazol-4-yl)acetic acid CAS Name: 2-(1-butyl-3,5-dimethyl-4-pyrazolyl)acetic acid IUPAC Name: 2-(1-butyl-3,5-dimethylpyrazol-4-yl)acetic acid Traditional Name: 2-(1-butyl-3,5-dimethyl-pyrazol-4-yl)acetic acid Formula: C11H18N2O2 MolecularWeight: 210.27282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)CC(=O)O)C

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)CC(=O)O)C

InChI

InChI=1S/C11H18N2O2/c1-4-5-6-13-9(3)10(7-11(14)15)8(2)12-13/h4-7H2,1-3H3,(H,14,15)