3-[5-(4-dimethylaminophenyl)-1-pyridin-2-yl-pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid

Systemtic Name: 3-[5-(4-dimethylaminophenyl)-1-pyridin-2-yl-pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid Openeye Name: 3-[5-(4-dimethylaminophenyl)-1-(2-pyridyl)pyrazol-3-yl]-2-(m-tolyl)propanoic acid CAS Name: 3-[5-(4-dimethylaminophenyl)-1-(2-pyridinyl)-3-pyrazolyl]-2-(3-methylphenyl)propanoic acid IUPAC Name: 3-[5-(4-dimethylaminophenyl)-1-pyridin-2-ylpyrazol-3-yl]-2-(3-methylphenyl)propanoic acid Traditional Name: 3-[5-(4-dimethylaminophenyl)-1-(2-pyridyl)pyrazol-3-yl]-2-(m-tolyl)propionic acid Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC2=NN(C(=C2)C3=CC=C(C=C3)N(C)C)C4=CC=CC=N4)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CC2=NN(C(=C2)C3=CC=C(C=C3)N(C)C)C4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C26H26N4O2/c1-18-7-6-8-20(15-18)23(26(31)32)16-21-17-24(19-10-12-22(13-11-19)29(2)3)30(28-21)25-9-4-5-14-27-25/h4-15,17,23H,16H2,1-3H3,(H,31,32)