3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]propanoic acid Openeye Name: 3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]propanoic acid CAS Name: 3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)-4-pyrazolyl]propanoic acid IUPAC Name: 3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]propanoic acid Traditional Name: 3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=C(C(=NN2C3=CC=C(C=C3)OC)C)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1OC2=C(C(=NN2C3=CC=C(C=C3)OC)C)CCC(=O)O

InChI

InChI=1S/C21H22N2O4/c1-14-6-4-5-7-19(14)27-21-18(12-13-20(24)25)15(2)22-23(21)16-8-10-17(26-3)11-9-16/h4-11H,12-13H2,1-3H3,(H,24,25)