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

Systemtic Name: 3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanoic acid Openeye Name: 3-[3-methyl-5-(3-methylphenoxy)-1-(m-tolyl)pyrazol-4-yl]propanoic acid CAS Name: 3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)-4-pyrazolyl]propanoic acid IUPAC Name: 3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanoic acid Traditional Name: 3-[3-methyl-5-(3-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(=CC=C1)N2C(=C(C(=N2)C)CCC(=O)O)OC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C(=N2)C)CCC(=O)O)OC3=CC=CC(=C3)C

InChI

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