3-[4-(3-chloranyl-4-fluoranyl-phenyl)phenyl]-2-[[2-oxidanyl-5-[3-(trifluoromethyl)phenyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[4-(3-chloranyl-4-fluoranyl-phenyl)phenyl]-2-[[2-oxidanyl-5-[3-(trifluoromethyl)phenyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[4-(3-chloro-4-fluoro-phenyl)phenyl]-2-[[2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzoyl]amino]propanoic acid CAS Name: 3-[4-(3-chloro-4-fluorophenyl)phenyl]-2-[[[2-hydroxy-5-[3-(trifluoromethyl)phenyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-(3-chloro-4-fluorophenyl)phenyl]-2-[[2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzoyl]amino]propanoic acid Traditional Name: 3-[4-(3-chloro-4-fluoro-phenyl)phenyl]-2-[[2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzoyl]amino]propionic acid Formula: C29H20ClF4NO4 MolecularWeight: 557.920013

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=C(C=C2)O)C(=O)NC(CC3=CC=C(C=C3)C4=CC(=C(C=C4)F)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=C(C=C2)O)C(=O)NC(CC3=CC=C(C=C3)C4=CC(=C(C=C4)F)Cl)C(=O)O

InChI

InChI=1S/C29H20ClF4NO4/c30-23-15-20(8-10-24(23)31)17-6-4-16(5-7-17)12-25(28(38)39)35-27(37)22-14-19(9-11-26(22)36)18-2-1-3-21(13-18)29(32,33)34/h1-11,13-15,25,36H,12H2,(H,35,37)(H,38,39)