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

Systemtic Name: 3-[5-(3,4-dichlorophenyl)-1-methyl-pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid Openeye Name: 3-[5-(3,4-dichlorophenyl)-1-methyl-pyrazol-3-yl]-2-(m-tolyl)propanoic acid CAS Name: 3-[5-(3,4-dichlorophenyl)-1-methyl-3-pyrazolyl]-2-(3-methylphenyl)propanoic acid IUPAC Name: 3-[5-(3,4-dichlorophenyl)-1-methylpyrazol-3-yl]-2-(3-methylphenyl)propanoic acid Traditional Name: 3-[5-(3,4-dichlorophenyl)-1-methyl-pyrazol-3-yl]-2-(m-tolyl)propionic acid Formula: C20H18Cl2N2O2 MolecularWeight: 389.27512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC2=NN(C(=C2)C3=CC(=C(C=C3)Cl)Cl)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CC2=NN(C(=C2)C3=CC(=C(C=C3)Cl)Cl)C)C(=O)O

InChI

InChI=1S/C20H18Cl2N2O2/c1-12-4-3-5-13(8-12)16(20(25)26)10-15-11-19(24(2)23-15)14-6-7-17(21)18(22)9-14/h3-9,11,16H,10H2,1-2H3,(H,25,26)