3-[5-bromanyl-2-[(2,4-dichlorophenyl)carbonyl-ethyl-amino]phenyl]propanoic acid

Systemtic Name: 3-[5-bromanyl-2-[(2,4-dichlorophenyl)carbonyl-ethyl-amino]phenyl]propanoic acid Openeye Name: 3-[5-bromo-2-[(2,4-dichlorobenzoyl)-ethyl-amino]phenyl]propanoic acid CAS Name: 3-[5-bromo-2-[[(2,4-dichlorophenyl)-oxomethyl]-ethylamino]phenyl]propanoic acid IUPAC Name: 3-[5-bromo-2-[(2,4-dichlorobenzoyl)-ethylamino]phenyl]propanoic acid Traditional Name: 3-[5-bromo-2-[(2,4-dichlorobenzoyl)-ethyl-amino]phenyl]propionic acid Formula: C18H16BrCl2NO3 MolecularWeight: 445.13454

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1)Br)CCC(=O)O)C(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCN(C1=C(C=C(C=C1)Br)CCC(=O)O)C(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H16BrCl2NO3/c1-2-22(18(25)14-6-5-13(20)10-15(14)21)16-7-4-12(19)9-11(16)3-8-17(23)24/h4-7,9-10H,2-3,8H2,1H3,(H,23,24)