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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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