3-[(3,5-dimethyl-4-octoxy-phenyl)methylamino]propylphosphonic acid

Systemtic Name: 3-[(3,5-dimethyl-4-octoxy-phenyl)methylamino]propylphosphonic acid Openeye Name: 3-[(3,5-dimethyl-4-octoxy-phenyl)methylamino]propylphosphonic acid CAS Name: 3-[(3,5-dimethyl-4-octoxyphenyl)methylamino]propylphosphonic acid IUPAC Name: 3-[(3,5-dimethyl-4-octoxyphenyl)methylamino]propylphosphonic acid Traditional Name: 3-[(3,5-dimethyl-4-octoxy-benzyl)amino]propylphosphonic acid Formula: C20H36NO4P MolecularWeight: 385.477901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1C)CNCCCP(=O)(O)O)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1C)CNCCCP(=O)(O)O)C

InChI

InChI=1S/C20H36NO4P/c1-4-5-6-7-8-9-12-25-20-17(2)14-19(15-18(20)3)16-21-11-10-13-26(22,23)24/h14-15,21H,4-13,16H2,1-3H3,(H2,22,23,24)