3-[[4-[[[5,6-bis(chloranyl)-1H-benzimidazol-2-yl]-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[[5,6-bis(chloranyl)-1H-benzimidazol-2-yl]-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl-(5,6-dichloro-1H-benzimidazol-2-yl)amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]-(5,6-dichloro-1H-benzimidazol-2-yl)amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl-(5,6-dichloro-1H-benzimidazol-2-yl)amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl-(5,6-dichloro-1H-benzimidazol-2-yl)amino]methyl]benzoyl]amino]propionic acid Formula: C26H19Cl3F3N5O4 MolecularWeight: 628.81437

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C2=NC3=CC(=C(C=C3N2)Cl)Cl)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN(C2=NC3=CC(=C(C=C3N2)Cl)Cl)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)C(=O)NCCC(=O)O

InChI

InChI=1S/C26H19Cl3F3N5O4/c27-17-6-5-15(9-16(17)26(30,31)32)34-25(41)37(24-35-20-10-18(28)19(29)11-21(20)36-24)12-13-1-3-14(4-2-13)23(40)33-8-7-22(38)39/h1-6,9-11H,7-8,12H2,(H,33,40)(H,34,41)(H,35,36)(H,38,39)