3-[4-[1-azanyl-1-oxidanylidene-3-[4-(trifluoromethyloxy)phenyl]propan-2-yl]phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[4-[1-azanyl-1-oxidanylidene-3-[4-(trifluoromethyloxy)phenyl]propan-2-yl]phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[4-[2-amino-2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]ethyl]phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[4-[1-amino-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[4-[1-amino-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[4-[2-amino-2-keto-1-[4-(trifluoromethoxy)benzyl]ethyl]phenyl]-1-ethyl-propyl]phosphonic acid Formula: C21H25F3NO5P MolecularWeight: 459.395871

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC(F)(F)F)C(=O)N)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC(F)(F)F)C(=O)N)P(=O)(O)O

InChI

InChI=1S/C21H25F3NO5P/c1-3-20(4-2,31(27,28)29)16-9-7-15(8-10-16)18(19(25)26)13-14-5-11-17(12-6-14)30-21(22,23)24/h5-12,18H,3-4,13H2,1-2H3,(H2,25,26)(H2,27,28,29)