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

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]methyl]phenoxy]propanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]methyl]phenoxy]propanoic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]methyl]phenoxy]propanoic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]methyl]phenoxy]propanoic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]methyl]phenoxy]propionic acid Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=CC(=C1)CN(CCCOC2=CC=CC=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C(=O)O)OC1=CC=CC(=C1)CN(CCCOC2=CC=CC=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C26H26N2O5/c1-19(25(29)30)32-22-12-7-9-20(17-22)18-28(15-8-16-31-21-10-3-2-4-11-21)26-27-23-13-5-6-14-24(23)33-26/h2-7,9-14,17,19H,8,15-16,18H2,1H3,(H,29,30)