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

Systemtic Name: 2-ethoxy-3-[4-[2-[hexyl(phenethyl)amino]-2-oxidanylidene-ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-[hexyl(phenethyl)amino]-2-oxo-ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-[hexyl(phenethyl)amino]-2-oxoethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-[hexyl(phenethyl)amino]-2-oxoethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-[hexyl(phenethyl)amino]-2-keto-ethoxy]phenyl]propionic acid Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCC1=CC=CC=C1)C(=O)COC2=CC=C(C=C2)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCCN(CCC1=CC=CC=C1)C(=O)COC2=CC=C(C=C2)CC(C(=O)O)OCC

InChI

InChI=1S/C27H37NO5/c1-3-5-6-10-18-28(19-17-22-11-8-7-9-12-22)26(29)21-33-24-15-13-23(14-16-24)20-25(27(30)31)32-4-2/h7-9,11-16,25H,3-6,10,17-21H2,1-2H3,(H,30,31)