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

Systemtic Name: 3-[3-methyl-1-(3-methylphenyl)-5-phenoxy-pyrazol-4-yl]propanoic acid Openeye Name: 3-[3-methyl-1-(m-tolyl)-5-phenoxy-pyrazol-4-yl]propanoic acid CAS Name: 3-[3-methyl-1-(3-methylphenyl)-5-phenoxy-4-pyrazolyl]propanoic acid IUPAC Name: 3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanoic acid Traditional Name: 3-[3-methyl-1-(m-tolyl)-5-phenoxy-pyrazol-4-yl]propionic acid Formula: C20H20N2O3 MolecularWeight: 336.3844

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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

Isomeric SMILES

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

InChI

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