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

Systemtic Name: 3-[(3-methoxy-4-octoxy-5-phenyl-phenyl)methylamino]propylphosphonic acid Openeye Name: 3-[(3-methoxy-4-octoxy-5-phenyl-phenyl)methylamino]propylphosphonic acid CAS Name: 3-[(3-methoxy-4-octoxy-5-phenylphenyl)methylamino]propylphosphonic acid IUPAC Name: 3-[(3-methoxy-4-octoxy-5-phenylphenyl)methylamino]propylphosphonic acid Traditional Name: 3-[(3-methoxy-4-octoxy-5-phenyl-benzyl)amino]propylphosphonic acid Formula: C25H38NO5P MolecularWeight: 463.546681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1C2=CC=CC=C2)CNCCCP(=O)(O)O)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1C2=CC=CC=C2)CNCCCP(=O)(O)O)OC

InChI

InChI=1S/C25H38NO5P/c1-3-4-5-6-7-11-16-31-25-23(22-13-9-8-10-14-22)18-21(19-24(25)30-2)20-26-15-12-17-32(27,28)29/h8-10,13-14,18-19,26H,3-7,11-12,15-17,20H2,1-2H3,(H2,27,28,29)