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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30NO4P/c1-2-3-4-14-26-21-8-5-7-20(16-21)19-11-9-18(10-12-19)17-22-13-6-15-27(23,24)25/h5,7-12,16,22H,2-4,6,13-15,17H2,1H3,(H2,23,24,25)