3-[[4-heptoxy-3-(trifluoromethyl)phenyl]methylamino]propylphosphonic acid

Systemtic Name: 3-[[4-heptoxy-3-(trifluoromethyl)phenyl]methylamino]propylphosphonic acid Openeye Name: 3-[[4-heptoxy-3-(trifluoromethyl)phenyl]methylamino]propylphosphonic acid CAS Name: 3-[[4-heptoxy-3-(trifluoromethyl)phenyl]methylamino]propylphosphonic acid IUPAC Name: 3-[[4-heptoxy-3-(trifluoromethyl)phenyl]methylamino]propylphosphonic acid Traditional Name: 3-[[4-heptoxy-3-(trifluoromethyl)benzyl]amino]propylphosphonic acid Formula: C18H29F3NO4P MolecularWeight: 411.396131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29F3NO4P/c1-2-3-4-5-6-11-26-17-9-8-15(13-16(17)18(19,20)21)14-22-10-7-12-27(23,24)25/h8-9,13,22H,2-7,10-12,14H2,1H3,(H2,23,24,25)