[[2-bromanyl-4-[[5-[4-(2,2-dimethylpropanoyloxymethoxycarbonyl)phenyl]-2-oxidanylidene-3-(phenylmethyl)imidazol-1-yl]methyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-[[5-[4-(2,2-dimethylpropanoyloxymethoxycarbonyl)phenyl]-2-oxidanylidene-3-(phenylmethyl)imidazol-1-yl]methyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[4-[[3-benzyl-5-[4-(2,2-dimethylpropanoyloxymethoxycarbonyl)phenyl]-2-oxo-imidazol-1-yl]methyl]-2-bromo-phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[[5-[4-[(2,2-dimethyl-1-oxopropoxy)methoxy-oxomethyl]phenyl]-2-oxo-3-(phenylmethyl)-1-imidazolyl]methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[4-[[3-benzyl-5-[4-(2,2-dimethylpropanoyloxymethoxycarbonyl)phenyl]-2-oxoimidazol-1-yl]methyl]-2-bromophenyl]-difluoromethyl]phosphonic acid Traditional Name: [[4-[[3-benzyl-2-keto-5-[4-(pivaloyloxymethoxycarbonyl)phenyl]-4-imidazolin-1-yl]methyl]-2-bromo-phenyl]-difluoro-methyl]phosphonic acid Formula: C31H30BrF2N2O8P MolecularWeight: 707.453067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1=CC=C(C=C1)C2=CN(C(=O)N2CC3=CC(=C(C=C3)C(F)(F)P(=O)(O)O)Br)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1=CC=C(C=C1)C2=CN(C(=O)N2CC3=CC(=C(C=C3)C(F)(F)P(=O)(O)O)Br)CC4=CC=CC=C4

InChI

InChI=1S/C31H30BrF2N2O8P/c1-30(2,3)28(38)44-19-43-27(37)23-12-10-22(11-13-23)26-18-35(16-20-7-5-4-6-8-20)29(39)36(26)17-21-9-14-24(25(32)15-21)31(33,34)45(40,41)42/h4-15,18H,16-17,19H2,1-3H3,(H2,40,41,42)