3-[4-[2-[[5-chloranyl-2-(4-methoxyphenoxy)phenyl]carbonylamino]ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[[5-chloranyl-2-(4-methoxyphenoxy)phenyl]carbonylamino]ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[[5-chloro-2-(4-methoxyphenoxy)benzoyl]amino]ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[[5-chloro-2-(4-methoxyphenoxy)phenyl]-oxomethyl]amino]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[[5-chloro-2-(4-methoxyphenoxy)benzoyl]amino]ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[[5-chloro-2-(4-methoxyphenoxy)benzoyl]amino]ethyl]phenyl]propionic acid Formula: C25H24ClNO5 MolecularWeight: 453.91476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C25H24ClNO5/c1-31-20-8-10-21(11-9-20)32-23-12-7-19(26)16-22(23)25(30)27-15-14-18-4-2-17(3-5-18)6-13-24(28)29/h2-5,7-12,16H,6,13-15H2,1H3,(H,27,30)(H,28,29)