[[2-bromanyl-4-[2-(3-phenylpropanoylamino)ethyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-[2-(3-phenylpropanoylamino)ethyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-[2-(3-phenylpropanoylamino)ethyl]phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[2-[(1-oxo-3-phenylpropyl)amino]ethyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-[2-(3-phenylpropanoylamino)ethyl]phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[2-(hydrocinnamoylamino)ethyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C18H19BrF2NO4P MolecularWeight: 462.222327

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NCCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NCCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C18H19BrF2NO4P/c19-16-12-14(6-8-15(16)18(20,21)27(24,25)26)10-11-22-17(23)9-7-13-4-2-1-3-5-13/h1-6,8,12H,7,9-11H2,(H,22,23)(H2,24,25,26)