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

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(heptyl)amino]methyl]phenoxy]propanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl(heptyl)amino]methyl]phenoxy]propanoic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl(heptyl)amino]methyl]phenoxy]propanoic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(heptyl)amino]methyl]phenoxy]propanoic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl(heptyl)amino]methyl]phenoxy]propionic acid Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4/c1-3-4-5-6-9-15-26(24-25-21-13-7-8-14-22(21)30-24)17-19-11-10-12-20(16-19)29-18(2)23(27)28/h7-8,10-14,16,18H,3-6,9,15,17H2,1-2H3,(H,27,28)