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

Systemtic Name: 3-[(3-bromanyl-4-heptoxy-5-methoxy-phenyl)methylamino]propylphosphonic acid Openeye Name: 3-[(3-bromo-4-heptoxy-5-methoxy-phenyl)methylamino]propylphosphonic acid CAS Name: 3-[(3-bromo-4-heptoxy-5-methoxyphenyl)methylamino]propylphosphonic acid IUPAC Name: 3-[(3-bromo-4-heptoxy-5-methoxyphenyl)methylamino]propylphosphonic acid Traditional Name: 3-[(3-bromo-4-heptoxy-5-methoxy-benzyl)amino]propylphosphonic acid Formula: C18H31BrNO5P MolecularWeight: 452.320201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1Br)CNCCCP(=O)(O)O)OC

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1Br)CNCCCP(=O)(O)O)OC

InChI

InChI=1S/C18H31BrNO5P/c1-3-4-5-6-7-10-25-18-16(19)12-15(13-17(18)24-2)14-20-9-8-11-26(21,22)23/h12-13,20H,3-11,14H2,1-2H3,(H2,21,22,23)