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

Systemtic Name: 3-[[4-(3-chloranyl-4-hexoxy-phenyl)phenyl]methylamino]propylphosphonic acid Openeye Name: 3-[[4-(3-chloro-4-hexoxy-phenyl)phenyl]methylamino]propylphosphonic acid CAS Name: 3-[[4-(3-chloro-4-hexoxyphenyl)phenyl]methylamino]propylphosphonic acid IUPAC Name: 3-[[4-(3-chloro-4-hexoxyphenyl)phenyl]methylamino]propylphosphonic acid Traditional Name: 3-[[4-(3-chloro-4-hexoxy-phenyl)benzyl]amino]propylphosphonic acid Formula: C22H31ClNO4P MolecularWeight: 439.912601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClNO4P/c1-2-3-4-5-14-28-22-12-11-20(16-21(22)23)19-9-7-18(8-10-19)17-24-13-6-15-29(25,26)27/h7-12,16,24H,2-6,13-15,17H2,1H3,(H2,25,26,27)