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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC2=CC(=NN2CC3=CC=CC=C3)C4=CC=C(C=C4)N(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CC2=CC(=NN2CC3=CC=CC=C3)C4=CC=C(C=C4)N(C)C)C(=O)O

InChI

InChI=1S/C28H29N3O2/c1-20-8-7-11-23(16-20)26(28(32)33)17-25-18-27(22-12-14-24(15-13-22)30(2)3)29-31(25)19-21-9-5-4-6-10-21/h4-16,18,26H,17,19H2,1-3H3,(H,32,33)