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

Systemtic Name: 3-[(3-bromanyl-4-hexoxy-5-methoxy-phenyl)methylamino]propylphosphonic acid Openeye Name: 3-[(3-bromo-4-hexoxy-5-methoxy-phenyl)methylamino]propylphosphonic acid CAS Name: 3-[(3-bromo-4-hexoxy-5-methoxyphenyl)methylamino]propylphosphonic acid IUPAC Name: 3-[(3-bromo-4-hexoxy-5-methoxyphenyl)methylamino]propylphosphonic acid Traditional Name: 3-[(3-bromo-4-hexoxy-5-methoxy-benzyl)amino]propylphosphonic acid Formula: C17H29BrNO5P MolecularWeight: 438.293621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Br)CNCCCP(=O)(O)O)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Br)CNCCCP(=O)(O)O)OC

InChI

InChI=1S/C17H29BrNO5P/c1-3-4-5-6-9-24-17-15(18)11-14(12-16(17)23-2)13-19-8-7-10-25(20,21)22/h11-12,19H,3-10,13H2,1-2H3,(H2,20,21,22)