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

Systemtic Name: 2-[4-[[1,3-benzoxazol-2-yl(3-methylbutyl)amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[1,3-benzoxazol-2-yl(isopentyl)amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[1,3-benzoxazol-2-yl(3-methylbutyl)amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[1,3-benzoxazol-2-yl(3-methylbutyl)amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[1,3-benzoxazol-2-yl(isoamyl)amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4/c1-16(2)13-14-25(22-24-19-7-5-6-8-20(19)28-22)15-17-9-11-18(12-10-17)29-23(3,4)21(26)27/h5-12,16H,13-15H2,1-4H3,(H,26,27)