[[2-bromanyl-4-[[2-oxidanylidene-3-(phenylmethyl)-5-[4-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)phenyl]imidazol-1-yl]methyl]phenyl]-bis(fluoranyl)methyl]-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid

Systemtic Name: [[2-bromanyl-4-[[2-oxidanylidene-3-(phenylmethyl)-5-[4-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)phenyl]imidazol-1-yl]methyl]phenyl]-bis(fluoranyl)methyl]-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid Openeye Name: [[4-[[3-benzyl-5-[4-(1-isopropoxycarbonyloxyethoxycarbonyl)phenyl]-2-oxo-imidazol-1-yl]methyl]-2-bromo-phenyl]-difluoro-methyl]-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid CAS Name: [[2-bromo-4-[[2-oxo-5-[4-[oxo-[1-[oxo(propan-2-yloxy)methoxy]ethoxy]methyl]phenyl]-3-(phenylmethyl)-1-imidazolyl]methyl]phenyl]-difluoromethyl]-[1-(2-methyl-1-oxopropoxy)ethoxy]phosphinic acid IUPAC Name: [[4-[[3-benzyl-2-oxo-5-[4-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)phenyl]imidazol-1-yl]methyl]-2-bromophenyl]-difluoromethyl]-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid Traditional Name: [[4-[[3-benzyl-5-[4-(1-isopropoxycarbonyloxyethoxycarbonyl)phenyl]-2-keto-4-imidazolin-1-yl]methyl]-2-bromo-phenyl]-difluoro-methyl]-(1-isobutyryloxyethoxy)phosphinic acid Formula: C37H40BrF2N2O11P MolecularWeight: 837.594867

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC(C)OP(=O)(C(C1=C(C=C(C=C1)CN2C(=CN(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC(C)OC(=O)OC(C)C)Br)(F)F)O

Isomeric SMILES

CC(C)C(=O)OC(C)OP(=O)(C(C1=C(C=C(C=C1)CN2C(=CN(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC(C)OC(=O)OC(C)C)Br)(F)F)O

InChI

InChI=1S/C37H40BrF2N2O11P/c1-22(2)33(43)51-25(6)53-54(47,48)37(39,40)30-17-12-27(18-31(30)38)20-42-32(21-41(35(42)45)19-26-10-8-7-9-11-26)28-13-15-29(16-14-28)34(44)50-24(5)52-36(46)49-23(3)4/h7-18,21-25H,19-20H2,1-6H3,(H,47,48)