3-[2-[4-[4-(4-chlorophenyl)-2-(4,5-dimethylbenzimidazol-1-yl)-1,3-oxazol-5-yl]butanoylamino]phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[2-[4-[4-(4-chlorophenyl)-2-(4,5-dimethylbenzimidazol-1-yl)-1,3-oxazol-5-yl]butanoylamino]phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[2-[4-[4-(4-chlorophenyl)-2-(4,5-dimethylbenzimidazol-1-yl)oxazol-5-yl]butanoylamino]phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[2-[[4-[4-(4-chlorophenyl)-2-(4,5-dimethyl-1-benzimidazolyl)-5-oxazolyl]-1-oxobutyl]amino]phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[2-[4-[4-(4-chlorophenyl)-2-(4,5-dimethylbenzimidazol-1-yl)-1,3-oxazol-5-yl]butanoylamino]phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[2-[4-[4-(4-chlorophenyl)-2-(4,5-dimethylbenzimidazol-1-yl)oxazol-5-yl]butanoylamino]phenyl]-1-ethyl-propyl]phosphonic acid Formula: C33H36ClN4O5P MolecularWeight: 635.089501

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=CC=C1NC(=O)CCCC2=C(N=C(O2)N3C=NC4=C3C=CC(=C4C)C)C5=CC=C(C=C5)Cl)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=CC=C1NC(=O)CCCC2=C(N=C(O2)N3C=NC4=C3C=CC(=C4C)C)C5=CC=C(C=C5)Cl)P(=O)(O)O

InChI

InChI=1S/C33H36ClN4O5P/c1-5-33(6-2,44(40,41)42)25-10-7-8-11-26(25)36-29(39)13-9-12-28-31(23-15-17-24(34)18-16-23)37-32(43-28)38-20-35-30-22(4)21(3)14-19-27(30)38/h7-8,10-11,14-20H,5-6,9,12-13H2,1-4H3,(H,36,39)(H2,40,41,42)