2-ethoxy-3-[4-[2-[hexyl-(phenylmethyl)amino]-2-oxidanylidene-ethoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-[hexyl-(phenylmethyl)amino]-2-oxidanylidene-ethoxy]phenyl]propanoic acid Openeye Name: 3-[4-[2-[benzyl(hexyl)amino]-2-oxo-ethoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 2-ethoxy-3-[4-[2-[hexyl-(phenylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[benzyl(hexyl)amino]-2-oxoethoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[2-[benzyl(hexyl)amino]-2-keto-ethoxy]phenyl]-2-ethoxy-propionic acid Formula: C26H35NO5 MolecularWeight: 441.5598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC1=CC=CC=C1)C(=O)COC2=CC=C(C=C2)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCCN(CC1=CC=CC=C1)C(=O)COC2=CC=C(C=C2)CC(C(=O)O)OCC

InChI

InChI=1S/C26H35NO5/c1-3-5-6-10-17-27(19-22-11-8-7-9-12-22)25(28)20-32-23-15-13-21(14-16-23)18-24(26(29)30)31-4-2/h7-9,11-16,24H,3-6,10,17-20H2,1-2H3,(H,29,30)