3-[(3-bromanyl-5-methoxy-4-undecoxy-phenyl)methylamino]propylphosphonic acid

Systemtic Name: 3-[(3-bromanyl-5-methoxy-4-undecoxy-phenyl)methylamino]propylphosphonic acid Openeye Name: 3-[(3-bromo-5-methoxy-4-undecoxy-phenyl)methylamino]propylphosphonic acid CAS Name: 3-[(3-bromo-5-methoxy-4-undecoxyphenyl)methylamino]propylphosphonic acid IUPAC Name: 3-[(3-bromo-5-methoxy-4-undecoxyphenyl)methylamino]propylphosphonic acid Traditional Name: 3-[(3-bromo-5-methoxy-4-undecoxy-benzyl)amino]propylphosphonic acid Formula: C22H39BrNO5P MolecularWeight: 508.426521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=C(C=C(C=C1Br)CNCCCP(=O)(O)O)OC

Isomeric SMILES

CCCCCCCCCCCOC1=C(C=C(C=C1Br)CNCCCP(=O)(O)O)OC

InChI

InChI=1S/C22H39BrNO5P/c1-3-4-5-6-7-8-9-10-11-14-29-22-20(23)16-19(17-21(22)28-2)18-24-13-12-15-30(25,26)27/h16-17,24H,3-15,18H2,1-2H3,(H2,25,26,27)