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

Systemtic Name: 3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanoic acid Openeye Name: 3-[3-methyl-5-(4-methylphenoxy)-1-(m-tolyl)pyrazol-4-yl]propanoic acid CAS Name: 3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)-4-pyrazolyl]propanoic acid IUPAC Name: 3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanoic acid Traditional Name: 3-[3-methyl-5-(4-methylphenoxy)-1-(m-tolyl)pyrazol-4-yl]propionic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-14-7-9-18(10-8-14)26-21-19(11-12-20(24)25)16(3)22-23(21)17-6-4-5-15(2)13-17/h4-10,13H,11-12H2,1-3H3,(H,24,25)