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

Systemtic Name: 2-[4-[[1,3-benzoxazol-2-yl(heptyl)amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[1,3-benzoxazol-2-yl(heptyl)amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[1,3-benzoxazol-2-yl(heptyl)amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[1,3-benzoxazol-2-yl(heptyl)amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[1,3-benzoxazol-2-yl(heptyl)amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-4-5-6-7-10-17-27(24-26-21-11-8-9-12-22(21)30-24)18-19-13-15-20(16-14-19)31-25(2,3)23(28)29/h8-9,11-16H,4-7,10,17-18H2,1-3H3,(H,28,29)