3-[4-[2-[(5-chloranyl-2-methoxy-phenyl)carbonyl-methyl-amino]ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[(5-chloranyl-2-methoxy-phenyl)carbonyl-methyl-amino]ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[(5-chloro-2-methoxy-benzoyl)-methyl-amino]ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[(5-chloro-2-methoxyphenyl)-oxomethyl]-methylamino]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[(5-chloro-2-methoxybenzoyl)-methylamino]ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[(5-chloro-2-methoxy-benzoyl)-methyl-amino]ethyl]phenyl]propionic acid Formula: C20H22ClNO4 MolecularWeight: 375.84598

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=C(C=C1)CCC(=O)O)C(=O)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CN(CCC1=CC=C(C=C1)CCC(=O)O)C(=O)C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C20H22ClNO4/c1-22(20(25)17-13-16(21)8-9-18(17)26-2)12-11-15-5-3-14(4-6-15)7-10-19(23)24/h3-6,8-9,13H,7,10-12H2,1-2H3,(H,23,24)