3-[1-(3-chlorophenyl)-3-methyl-5-(4-methylphenoxy)pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[1-(3-chlorophenyl)-3-methyl-5-(4-methylphenoxy)pyrazol-4-yl]propanoic acid Openeye Name: 3-[1-(3-chlorophenyl)-3-methyl-5-(4-methylphenoxy)pyrazol-4-yl]propanoic acid CAS Name: 3-[1-(3-chlorophenyl)-3-methyl-5-(4-methylphenoxy)-4-pyrazolyl]propanoic acid IUPAC Name: 3-[1-(3-chlorophenyl)-3-methyl-5-(4-methylphenoxy)pyrazol-4-yl]propanoic acid Traditional Name: 3-[1-(3-chlorophenyl)-3-methyl-5-(4-methylphenoxy)pyrazol-4-yl]propionic acid Formula: C20H19ClN2O3 MolecularWeight: 370.82946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C(=NN2C3=CC(=CC=C3)Cl)C)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C(=NN2C3=CC(=CC=C3)Cl)C)CCC(=O)O

InChI

InChI=1S/C20H19ClN2O3/c1-13-6-8-17(9-7-13)26-20-18(10-11-19(24)25)14(2)22-23(20)16-5-3-4-15(21)12-16/h3-9,12H,10-11H2,1-2H3,(H,24,25)