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

Systemtic Name: 2-[4-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O4/c1-27(2,25(30)31)33-22-16-14-21(15-17-22)19-29(18-8-11-20-9-4-3-5-10-20)26-28-23-12-6-7-13-24(23)32-26/h3-7,9-10,12-17H,8,11,18-19H2,1-2H3,(H,30,31)