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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC=C1CN(CCOC2=CC=CC=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC=C1CN(CCOC2=CC=CC=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C26H26N2O5/c1-26(2,24(29)30)33-22-14-8-6-10-19(22)18-28(16-17-31-20-11-4-3-5-12-20)25-27-21-13-7-9-15-23(21)32-25/h3-15H,16-18H2,1-2H3,(H,29,30)