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

Systemtic Name: 3-[(3-methyl-4-octoxy-phenyl)methylamino]propylphosphonic acid Openeye Name: 3-[(3-methyl-4-octoxy-phenyl)methylamino]propylphosphonic acid CAS Name: 3-[(3-methyl-4-octoxyphenyl)methylamino]propylphosphonic acid IUPAC Name: 3-[(3-methyl-4-octoxyphenyl)methylamino]propylphosphonic acid Traditional Name: 3-[(3-methyl-4-octoxy-benzyl)amino]propylphosphonic acid Formula: C19H34NO4P MolecularWeight: 371.451321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H34NO4P/c1-3-4-5-6-7-8-13-24-19-11-10-18(15-17(19)2)16-20-12-9-14-25(21,22)23/h10-11,15,20H,3-9,12-14,16H2,1-2H3,(H2,21,22,23)