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

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]propanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]propanoic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]propanoic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]propanoic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]propionic acid Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=CC(=C1)CN(CCCC2=CC=CC=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C(=O)O)OC1=CC=CC(=C1)CN(CCCC2=CC=CC=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C26H26N2O4/c1-19(25(29)30)31-22-13-7-11-21(17-22)18-28(16-8-12-20-9-3-2-4-10-20)26-27-23-14-5-6-15-24(23)32-26/h2-7,9-11,13-15,17,19H,8,12,16,18H2,1H3,(H,29,30)