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

Systemtic Name: 3-[[4-(3-heptoxyphenyl)phenyl]methylamino]propylphosphonic acid Openeye Name: 3-[[4-(3-heptoxyphenyl)phenyl]methylamino]propylphosphonic acid CAS Name: 3-[[4-(3-heptoxyphenyl)phenyl]methylamino]propylphosphonic acid IUPAC Name: 3-[[4-(3-heptoxyphenyl)phenyl]methylamino]propylphosphonic acid Traditional Name: 3-[[4-(3-heptoxyphenyl)benzyl]amino]propylphosphonic acid Formula: C23H34NO4P MolecularWeight: 419.494121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)C2=CC=C(C=C2)CNCCCP(=O)(O)O

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)C2=CC=C(C=C2)CNCCCP(=O)(O)O

InChI

InChI=1S/C23H34NO4P/c1-2-3-4-5-6-16-28-23-10-7-9-22(18-23)21-13-11-20(12-14-21)19-24-15-8-17-29(25,26)27/h7,9-14,18,24H,2-6,8,15-17,19H2,1H3,(H2,25,26,27)