3-[4-[2-[(4-chloranylphenoxy)carbonyl-octyl-amino]ethoxy]phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-[2-[(4-chloranylphenoxy)carbonyl-octyl-amino]ethoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[2-[(4-chlorophenoxy)carbonyl-octyl-amino]ethoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[2-[[(4-chlorophenoxy)-oxomethyl]-octylamino]ethoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[2-[(4-chlorophenoxy)carbonyl-octylamino]ethoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[2-[(4-chlorophenoxy)carbonyl-octyl-amino]ethoxy]phenyl]-2-ethoxy-propionic acid Formula: C28H38ClNO6 MolecularWeight: 520.05742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCOC1=CC=C(C=C1)CC(C(=O)O)OCC)C(=O)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCN(CCOC1=CC=C(C=C1)CC(C(=O)O)OCC)C(=O)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C28H38ClNO6/c1-3-5-6-7-8-9-18-30(28(33)36-25-16-12-23(29)13-17-25)19-20-35-24-14-10-22(11-15-24)21-26(27(31)32)34-4-2/h10-17,26H,3-9,18-21H2,1-2H3,(H,31,32)