2-[3-[[1,3-benzoxazol-2-yl(pyridin-2-ylmethyl)amino]methyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(pyridin-2-ylmethyl)amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl(2-pyridylmethyl)amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl(2-pyridinylmethyl)amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(pyridin-2-ylmethyl)amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl(2-pyridylmethyl)amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C24H23N3O4 MolecularWeight: 417.45712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC(=C1)CN(CC2=CC=CC=N2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC(=C1)CN(CC2=CC=CC=N2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C24H23N3O4/c1-24(2,22(28)29)31-19-10-7-8-17(14-19)15-27(16-18-9-5-6-13-25-18)23-26-20-11-3-4-12-21(20)30-23/h3-14H,15-16H2,1-2H3,(H,28,29)