2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]ethanoic acid Openeye Name: 2-[3,5-dimethyl-1-(o-tolyl)pyrazol-4-yl]acetic acid CAS Name: 2-[3,5-dimethyl-1-(2-methylphenyl)-4-pyrazolyl]acetic acid IUPAC Name: 2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]acetic acid Traditional Name: 2-[3,5-dimethyl-1-(o-tolyl)pyrazol-4-yl]acetic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=N2)C)CC(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=N2)C)CC(=O)O)C

InChI

InChI=1S/C14H16N2O2/c1-9-6-4-5-7-13(9)16-11(3)12(8-14(17)18)10(2)15-16/h4-7H,8H2,1-3H3,(H,17,18)