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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4/c1-4-5-8-14-25(22-24-19-12-6-7-13-20(19)28-22)16-17-10-9-11-18(15-17)29-23(2,3)21(26)27/h6-7,9-13,15H,4-5,8,14,16H2,1-3H3,(H,26,27)