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

Systemtic Name: 3-[4-[(4-methylpyrazol-1-yl)methyl]-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid Openeye Name: 3-[4-[(4-methylpyrazol-1-yl)methyl]-2-[2-(2-naphthyl)ethoxy]phenyl]propanoic acid CAS Name: 3-[4-[(4-methyl-1-pyrazolyl)methyl]-2-[2-(2-naphthalenyl)ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[(4-methylpyrazol-1-yl)methyl]-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid Traditional Name: 3-[4-[(4-methylpyrazol-1-yl)methyl]-2-[2-(2-naphthyl)ethoxy]phenyl]propionic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1)CC2=CC(=C(C=C2)CCC(=O)O)OCCC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CN(N=C1)CC2=CC(=C(C=C2)CCC(=O)O)OCCC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H26N2O3/c1-19-16-27-28(17-19)18-21-7-9-23(10-11-26(29)30)25(15-21)31-13-12-20-6-8-22-4-2-3-5-24(22)14-20/h2-9,14-17H,10-13,18H2,1H3,(H,29,30)