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

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(3-pyridin-3-ylpropyl)amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl-[3-(3-pyridyl)propyl]amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl-[3-(3-pyridinyl)propyl]amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(3-pyridin-3-ylpropyl)amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl-[3-(3-pyridyl)propyl]amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C26H27N3O4 MolecularWeight: 445.51028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC(=C1)CN(CCCC2=CN=CC=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC(=C1)CN(CCCC2=CN=CC=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C26H27N3O4/c1-26(2,24(30)31)33-21-11-5-8-20(16-21)18-29(15-7-10-19-9-6-14-27-17-19)25-28-22-12-3-4-13-23(22)32-25/h3-6,8-9,11-14,16-17H,7,10,15,18H2,1-2H3,(H,30,31)