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

Systemtic Name: 3-[[4-(4-hexoxy-3-methoxy-phenyl)phenyl]methylamino]propylphosphonic acid Openeye Name: 3-[[4-(4-hexoxy-3-methoxy-phenyl)phenyl]methylamino]propylphosphonic acid CAS Name: 3-[[4-(4-hexoxy-3-methoxyphenyl)phenyl]methylamino]propylphosphonic acid IUPAC Name: 3-[[4-(4-hexoxy-3-methoxyphenyl)phenyl]methylamino]propylphosphonic acid Traditional Name: 3-[[4-(4-hexoxy-3-methoxy-phenyl)benzyl]amino]propylphosphonic acid Formula: C23H34NO5P MolecularWeight: 435.493521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)CNCCCP(=O)(O)O)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)CNCCCP(=O)(O)O)OC

InChI

InChI=1S/C23H34NO5P/c1-3-4-5-6-15-29-22-13-12-21(17-23(22)28-2)20-10-8-19(9-11-20)18-24-14-7-16-30(25,26)27/h8-13,17,24H,3-7,14-16,18H2,1-2H3,(H2,25,26,27)