2-[2-(3-bromanyl-4-phenylmethoxy-phenyl)propanoylamino]-4,6-bis(chloranyl)benzoic acid

Systemtic Name: 2-[2-(3-bromanyl-4-phenylmethoxy-phenyl)propanoylamino]-4,6-bis(chloranyl)benzoic acid Openeye Name: 2-[2-(4-benzyloxy-3-bromo-phenyl)propanoylamino]-4,6-dichloro-benzoic acid CAS Name: 2-[[2-(3-bromo-4-phenylmethoxyphenyl)-1-oxopropyl]amino]-4,6-dichlorobenzoic acid IUPAC Name: 2-[2-(3-bromo-4-phenylmethoxyphenyl)propanoylamino]-4,6-dichlorobenzoic acid Traditional Name: 2-[2-(4-benzoxy-3-bromo-phenyl)propanoylamino]-4,6-dichloro-benzoic acid Formula: C23H18BrCl2NO4 MolecularWeight: 523.20332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)Br)C(=O)NC3=CC(=CC(=C3C(=O)O)Cl)Cl

Isomeric SMILES

CC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)Br)C(=O)NC3=CC(=CC(=C3C(=O)O)Cl)Cl

InChI

InChI=1S/C23H18BrCl2NO4/c1-13(22(28)27-19-11-16(25)10-18(26)21(19)23(29)30)15-7-8-20(17(24)9-15)31-12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,27,28)(H,29,30)