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

Systemtic Name: 3-[[4-(4-pentylphenyl)phenyl]methylamino]propylphosphonic acid Openeye Name: 3-[[4-(4-pentylphenyl)phenyl]methylamino]propylphosphonic acid CAS Name: 3-[[4-(4-pentylphenyl)phenyl]methylamino]propylphosphonic acid IUPAC Name: 3-[[4-(4-pentylphenyl)phenyl]methylamino]propylphosphonic acid Traditional Name: 3-[[4-(4-amylphenyl)benzyl]amino]propylphosphonic acid Formula: C21H30NO3P MolecularWeight: 375.441561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CNCCCP(=O)(O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CNCCCP(=O)(O)O

InChI

InChI=1S/C21H30NO3P/c1-2-3-4-6-18-7-11-20(12-8-18)21-13-9-19(10-14-21)17-22-15-5-16-26(23,24)25/h7-14,22H,2-6,15-17H2,1H3,(H2,23,24,25)