2-[3-[4-(2-chloranyl-4-fluoranyl-phenyl)phenyl]propanoylamino]benzoic acid

Systemtic Name: 2-[3-[4-(2-chloranyl-4-fluoranyl-phenyl)phenyl]propanoylamino]benzoic acid Openeye Name: 2-[3-[4-(2-chloro-4-fluoro-phenyl)phenyl]propanoylamino]benzoic acid CAS Name: 2-[[3-[4-(2-chloro-4-fluorophenyl)phenyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-[4-(2-chloro-4-fluorophenyl)phenyl]propanoylamino]benzoic acid Traditional Name: 2-[3-[4-(2-chloro-4-fluoro-phenyl)phenyl]propanoylamino]benzoic acid Formula: C22H17ClFNO3 MolecularWeight: 397.826683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C22H17ClFNO3/c23-19-13-16(24)10-11-17(19)15-8-5-14(6-9-15)7-12-21(26)25-20-4-2-1-3-18(20)22(27)28/h1-6,8-11,13H,7,12H2,(H,25,26)(H,27,28)