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

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(octyl)amino]methyl]phenoxy]propanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl(octyl)amino]methyl]phenoxy]propanoic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl(octyl)amino]methyl]phenoxy]propanoic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(octyl)amino]methyl]phenoxy]propanoic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl(octyl)amino]methyl]phenoxy]propionic acid Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-3-4-5-6-7-10-16-27(25-26-22-14-8-9-15-23(22)31-25)18-20-12-11-13-21(17-20)30-19(2)24(28)29/h8-9,11-15,17,19H,3-7,10,16,18H2,1-2H3,(H,28,29)