3-[5-(4-methoxyphenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=N2)C)CCC(=O)O)OC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=N2)C)CCC(=O)O)OC3=CC=C(C=C3)OC

InChI

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