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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC1=CC=C(C=C1)OC(C)(C)C(=O)O)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCN(CCCC1=CC=C(C=C1)OC(C)(C)C(=O)O)C2=NC3=CC=CC=C3O2

InChI

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