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

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(propyl)amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl(propyl)amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl(propyl)amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(propyl)amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl(propyl)amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC(=CC=C1)OC(C)(C)C(=O)O)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCN(CC1=CC(=CC=C1)OC(C)(C)C(=O)O)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H24N2O4/c1-4-12-23(20-22-17-10-5-6-11-18(17)26-20)14-15-8-7-9-16(13-15)27-21(2,3)19(24)25/h5-11,13H,4,12,14H2,1-3H3,(H,24,25)