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

Systemtic Name: 3-[5-(4-dimethylaminophenyl)-1-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid Openeye Name: 3-[5-(4-dimethylaminophenyl)-1-(p-tolyl)pyrazol-3-yl]-2-(m-tolyl)propanoic acid CAS Name: 3-[5-(4-dimethylaminophenyl)-1-(4-methylphenyl)-3-pyrazolyl]-2-(3-methylphenyl)propanoic acid IUPAC Name: 3-[5-(4-dimethylaminophenyl)-1-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid Traditional Name: 3-[5-(4-dimethylaminophenyl)-1-(p-tolyl)pyrazol-3-yl]-2-(m-tolyl)propionic acid Formula: C28H29N3O2 MolecularWeight: 439.54876

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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=CC=C(C=C4)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O2/c1-19-8-12-25(13-9-19)31-27(21-10-14-24(15-11-21)30(3)4)18-23(29-31)17-26(28(32)33)22-7-5-6-20(2)16-22/h5-16,18,26H,17H2,1-4H3,(H,32,33)