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

Systemtic Name: 3-[(4-octoxy-3-phenylmethoxy-phenyl)methylamino]propylphosphonic acid Openeye Name: 3-[(3-benzyloxy-4-octoxy-phenyl)methylamino]propylphosphonic acid CAS Name: 3-[(4-octoxy-3-phenylmethoxyphenyl)methylamino]propylphosphonic acid IUPAC Name: 3-[(4-octoxy-3-phenylmethoxyphenyl)methylamino]propylphosphonic acid Traditional Name: 3-[(3-benzoxy-4-octoxy-benzyl)amino]propylphosphonic acid Formula: C25H38NO5P MolecularWeight: 463.546681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)CNCCCP(=O)(O)O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)CNCCCP(=O)(O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H38NO5P/c1-2-3-4-5-6-10-17-30-24-15-14-23(20-26-16-11-18-32(27,28)29)19-25(24)31-21-22-12-8-7-9-13-22/h7-9,12-15,19,26H,2-6,10-11,16-18,20-21H2,1H3,(H2,27,28,29)