3-[(3-methoxy-4-octoxy-phenyl)methylamino]propylphosphonic acid

Systemtic Name: 3-[(3-methoxy-4-octoxy-phenyl)methylamino]propylphosphonic acid Openeye Name: 3-[(3-methoxy-4-octoxy-phenyl)methylamino]propylphosphonic acid CAS Name: 3-[(3-methoxy-4-octoxyphenyl)methylamino]propylphosphonic acid IUPAC Name: 3-[(3-methoxy-4-octoxyphenyl)methylamino]propylphosphonic acid Traditional Name: 3-[(3-methoxy-4-octoxy-benzyl)amino]propylphosphonic acid Formula: C19H34NO5P MolecularWeight: 387.450721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)CNCCCP(=O)(O)O)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)CNCCCP(=O)(O)O)OC

InChI

InChI=1S/C19H34NO5P/c1-3-4-5-6-7-8-13-25-18-11-10-17(15-19(18)24-2)16-20-12-9-14-26(21,22)23/h10-11,15,20H,3-9,12-14,16H2,1-2H3,(H2,21,22,23)