2-[4-[[1,3-benzoxazol-2-yl(2-phenoxyethyl)amino]methyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[[1,3-benzoxazol-2-yl(2-phenoxyethyl)amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[1,3-benzoxazol-2-yl(2-phenoxyethyl)amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[1,3-benzoxazol-2-yl(2-phenoxyethyl)amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[1,3-benzoxazol-2-yl(2-phenoxyethyl)amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[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=C(C=C1)CN(CCOC2=CC=CC=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)CN(CCOC2=CC=CC=C2)C3=NC4=CC=CC=C4O3

InChI

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