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

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl(1-naphthylmethyl)amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl(1-naphthalenylmethyl)amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl(1-naphthylmethyl)amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C29H26N2O4 MolecularWeight: 466.52774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26N2O4/c1-29(2,27(32)33)35-23-13-7-9-20(17-23)18-31(28-30-25-15-5-6-16-26(25)34-28)19-22-12-8-11-21-10-3-4-14-24(21)22/h3-17H,18-19H2,1-2H3,(H,32,33)