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

Systemtic Name: 3-[3-[4-[2-[(5-chloranyl-2-methoxy-phenyl)carbonylamino]ethyl]phenyl]propanoylamino]propanoic acid Openeye Name: 3-[3-[4-[2-[(5-chloro-2-methoxy-benzoyl)amino]ethyl]phenyl]propanoylamino]propanoic acid CAS Name: 3-[[3-[4-[2-[[(5-chloro-2-methoxyphenyl)-oxomethyl]amino]ethyl]phenyl]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[3-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]propanoylamino]propanoic acid Traditional Name: 3-[3-[4-[2-[(5-chloro-2-methoxy-benzoyl)amino]ethyl]phenyl]propanoylamino]propionic acid Formula: C22H25ClN2O5 MolecularWeight: 432.8973

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)CCC(=O)NCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)CCC(=O)NCCC(=O)O

InChI

InChI=1S/C22H25ClN2O5/c1-30-19-8-7-17(23)14-18(19)22(29)25-12-10-16-4-2-15(3-5-16)6-9-20(26)24-13-11-21(27)28/h2-5,7-8,14H,6,9-13H2,1H3,(H,24,26)(H,25,29)(H,27,28)