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

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]propanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl(1-naphthylmethyl)amino]methyl]phenoxy]propanoic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl(1-naphthalenylmethyl)amino]methyl]phenoxy]propanoic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]propanoic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl(1-naphthylmethyl)amino]methyl]phenoxy]propionic acid Formula: C28H24N2O4 MolecularWeight: 452.50116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=CC(=C1)CN(CC2=CC=CC3=CC=CC=C32)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC(C(=O)O)OC1=CC=CC(=C1)CN(CC2=CC=CC3=CC=CC=C32)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C28H24N2O4/c1-19(27(31)32)33-23-12-6-8-20(16-23)17-30(28-29-25-14-4-5-15-26(25)34-28)18-22-11-7-10-21-9-2-3-13-24(21)22/h2-16,19H,17-18H2,1H3,(H,31,32)