2-[4-[[1,3-benzoxazol-2-yl(octyl)amino]methyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[[1,3-benzoxazol-2-yl(octyl)amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[1,3-benzoxazol-2-yl(octyl)amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[1,3-benzoxazol-2-yl(octyl)amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[1,3-benzoxazol-2-yl(octyl)amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[1,3-benzoxazol-2-yl(octyl)amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CC1=CC=C(C=C1)OC(C)(C)C(=O)O)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCCCCCCN(CC1=CC=C(C=C1)OC(C)(C)C(=O)O)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C26H34N2O4/c1-4-5-6-7-8-11-18-28(25-27-22-12-9-10-13-23(22)31-25)19-20-14-16-21(17-15-20)32-26(2,3)24(29)30/h9-10,12-17H,4-8,11,18-19H2,1-3H3,(H,29,30)