3-[[5-(4-ethylphenyl)-6-pyridin-4-yl-pyridin-2-yl]methylamino]propylphosphonic acid

Systemtic Name: 3-[[5-(4-ethylphenyl)-6-pyridin-4-yl-pyridin-2-yl]methylamino]propylphosphonic acid Openeye Name: 3-[[5-(4-ethylphenyl)-6-(4-pyridyl)-2-pyridyl]methylamino]propylphosphonic acid CAS Name: 3-[[5-(4-ethylphenyl)-6-pyridin-4-yl-2-pyridinyl]methylamino]propylphosphonic acid IUPAC Name: 3-[[5-(4-ethylphenyl)-6-pyridin-4-ylpyridin-2-yl]methylamino]propylphosphonic acid Traditional Name: 3-[[5-(4-ethylphenyl)-6-(4-pyridyl)-2-pyridyl]methylamino]propylphosphonic acid Formula: C22H26N3O3P MolecularWeight: 411.433901

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(N=C(C=C2)CNCCCP(=O)(O)O)C3=CC=NC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(N=C(C=C2)CNCCCP(=O)(O)O)C3=CC=NC=C3

InChI

InChI=1S/C22H26N3O3P/c1-2-17-4-6-18(7-5-17)21-9-8-20(16-24-12-3-15-29(26,27)28)25-22(21)19-10-13-23-14-11-19/h4-11,13-14,24H,2-3,12,15-16H2,1H3,(H2,26,27,28)