2-[[4-heptoxy-3-(trifluoromethyl)phenyl]methylamino]ethyl dihydrogen phosphate

Systemtic Name: 2-[[4-heptoxy-3-(trifluoromethyl)phenyl]methylamino]ethyl dihydrogen phosphate Openeye Name: 2-[[4-heptoxy-3-(trifluoromethyl)phenyl]methylamino]ethyl dihydrogen phosphate CAS Name: 2-[[4-heptoxy-3-(trifluoromethyl)phenyl]methylamino]ethyl dihydrogen phosphate IUPAC Name: 2-[[4-heptoxy-3-(trifluoromethyl)phenyl]methylamino]ethyl dihydrogen phosphate Traditional Name: 2-[[4-heptoxy-3-(trifluoromethyl)benzyl]amino]ethyl dihydrogen phosphate Formula: C17H27F3NO5P MolecularWeight: 413.368951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)CNCCOP(=O)(O)O)C(F)(F)F

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)CNCCOP(=O)(O)O)C(F)(F)F

InChI

InChI=1S/C17H27F3NO5P/c1-2-3-4-5-6-10-25-16-8-7-14(12-15(16)17(18,19)20)13-21-9-11-26-27(22,23)24/h7-8,12,21H,2-6,9-11,13H2,1H3,(H2,22,23,24)