3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid

Systemtic Name: 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid Openeye Name: 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[2-(2-naphthyl)ethoxy]phenyl]propanoic acid CAS Name: 3-[4-[(3,5-dimethyl-1-pyrazolyl)methyl]-2-[2-(2-naphthalenyl)ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid Traditional Name: 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[2-(2-naphthyl)ethoxy]phenyl]propionic acid Formula: C27H28N2O3 MolecularWeight: 428.52282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=C(C=C2)CCC(=O)O)OCCC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=C(C=C2)CCC(=O)O)OCCC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C27H28N2O3/c1-19-15-20(2)29(28-19)18-22-8-10-24(11-12-27(30)31)26(17-22)32-14-13-21-7-9-23-5-3-4-6-25(23)16-21/h3-10,15-17H,11-14,18H2,1-2H3,(H,30,31)