3-[[1-[[3,5-bis(chloranyl)phenyl]methyl]-2-[3-(trifluoromethyloxy)phenyl]benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-[[3,5-bis(chloranyl)phenyl]methyl]-2-[3-(trifluoromethyloxy)phenyl]benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-[(3,5-dichlorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[(3,5-dichlorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-[(3,5-dichlorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-(3,5-dichlorobenzyl)-2-[3-(trifluoromethoxy)phenyl]benzimidazole-5-carbonyl]amino]propionic acid Formula: C25H18Cl2F3N3O4 MolecularWeight: 552.32933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(F)(F)F)C2=NC3=C(N2CC4=CC(=CC(=C4)Cl)Cl)C=CC(=C3)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OC(F)(F)F)C2=NC3=C(N2CC4=CC(=CC(=C4)Cl)Cl)C=CC(=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C25H18Cl2F3N3O4/c26-17-8-14(9-18(27)12-17)13-33-21-5-4-16(24(36)31-7-6-22(34)35)11-20(21)32-23(33)15-2-1-3-19(10-15)37-25(28,29)30/h1-5,8-12H,6-7,13H2,(H,31,36)(H,34,35)