3-[[4-(4-pentoxyphenyl)phenyl]methylamino]propylphosphonic acid

Systemtic Name: 3-[[4-(4-pentoxyphenyl)phenyl]methylamino]propylphosphonic acid Openeye Name: 3-[[4-(4-pentoxyphenyl)phenyl]methylamino]propylphosphonic acid CAS Name: 3-[[4-(4-pentoxyphenyl)phenyl]methylamino]propylphosphonic acid IUPAC Name: 3-[[4-(4-pentoxyphenyl)phenyl]methylamino]propylphosphonic acid Traditional Name: 3-[[4-(4-amoxyphenyl)benzyl]amino]propylphosphonic acid Formula: C21H30NO4P MolecularWeight: 391.440961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CNCCCP(=O)(O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CNCCCP(=O)(O)O

InChI

InChI=1S/C21H30NO4P/c1-2-3-4-15-26-21-12-10-20(11-13-21)19-8-6-18(7-9-19)17-22-14-5-16-27(23,24)25/h6-13,22H,2-5,14-17H2,1H3,(H2,23,24,25)