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

Systemtic Name: 3-[4-[2-[[5-chloranyl-2-(2-methoxyethoxy)phenyl]carbonylamino]ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[[5-chloro-2-(2-methoxyethoxy)phenyl]-oxomethyl]amino]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]phenyl]propionic acid Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

COCCOC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C21H24ClNO5/c1-27-12-13-28-19-8-7-17(22)14-18(19)21(26)23-11-10-16-4-2-15(3-5-16)6-9-20(24)25/h2-5,7-8,14H,6,9-13H2,1H3,(H,23,26)(H,24,25)