2-(3-methylphenyl)-3-[1-(4-methylphenyl)-5-quinolin-6-yl-pyrazol-3-yl]propanoic acid

Systemtic Name: 2-(3-methylphenyl)-3-[1-(4-methylphenyl)-5-quinolin-6-yl-pyrazol-3-yl]propanoic acid Openeye Name: 2-(m-tolyl)-3-[1-(p-tolyl)-5-(6-quinolyl)pyrazol-3-yl]propanoic acid CAS Name: 2-(3-methylphenyl)-3-[1-(4-methylphenyl)-5-(6-quinolinyl)-3-pyrazolyl]propanoic acid IUPAC Name: 2-(3-methylphenyl)-3-[1-(4-methylphenyl)-5-quinolin-6-ylpyrazol-3-yl]propanoic acid Traditional Name: 2-(m-tolyl)-3-[1-(p-tolyl)-5-(6-quinolyl)pyrazol-3-yl]propionic acid Formula: C29H25N3O2 MolecularWeight: 447.5277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)CC(C3=CC=CC(=C3)C)C(=O)O)C4=CC5=C(C=C4)N=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)CC(C3=CC=CC(=C3)C)C(=O)O)C4=CC5=C(C=C4)N=CC=C5

InChI

InChI=1S/C29H25N3O2/c1-19-8-11-25(12-9-19)32-28(23-10-13-27-22(16-23)7-4-14-30-27)18-24(31-32)17-26(29(33)34)21-6-3-5-20(2)15-21/h3-16,18,26H,17H2,1-2H3,(H,33,34)