2-ethoxy-3-[2-[heptyl(phenylmethoxycarbonyl)amino]ethoxy]-2-phenyl-propanoic acid

Systemtic Name: 2-ethoxy-3-[2-[heptyl(phenylmethoxycarbonyl)amino]ethoxy]-2-phenyl-propanoic acid Openeye Name: 3-[2-[benzyloxycarbonyl(heptyl)amino]ethoxy]-2-ethoxy-2-phenyl-propanoic acid CAS Name: 2-ethoxy-3-[2-[heptyl(phenylmethoxycarbonyl)amino]ethoxy]-2-phenylpropanoic acid IUPAC Name: 2-ethoxy-3-[2-[heptyl(phenylmethoxycarbonyl)amino]ethoxy]-2-phenylpropanoic acid Traditional Name: 3-[2-[carbobenzoxy(heptyl)amino]ethoxy]-2-ethoxy-2-phenyl-propionic acid Formula: C28H39NO6 MolecularWeight: 485.61236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCOCC(C1=CC=CC=C1)(C(=O)O)OCC)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCN(CCOCC(C1=CC=CC=C1)(C(=O)O)OCC)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H39NO6/c1-3-5-6-7-14-19-29(27(32)34-22-24-15-10-8-11-16-24)20-21-33-23-28(26(30)31,35-4-2)25-17-12-9-13-18-25/h8-13,15-18H,3-7,14,19-23H2,1-2H3,(H,30,31)