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

Systemtic Name: 3-[3-methyl-5-(3-methylphenoxy)-1-phenyl-pyrazol-4-yl]propanoic acid Openeye Name: 3-[3-methyl-5-(3-methylphenoxy)-1-phenyl-pyrazol-4-yl]propanoic acid CAS Name: 3-[3-methyl-5-(3-methylphenoxy)-1-phenyl-4-pyrazolyl]propanoic acid IUPAC Name: 3-[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]propanoic acid Traditional Name: 3-[3-methyl-5-(3-methylphenoxy)-1-phenyl-pyrazol-4-yl]propionic acid Formula: C20H20N2O3 MolecularWeight: 336.3844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c1-14-7-6-10-17(13-14)25-20-18(11-12-19(23)24)15(2)21-22(20)16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3,(H,23,24)