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

Systemtic Name: 2-[[5-(4-ethylphenyl)-6-pyridin-4-yl-pyridin-2-yl]methylamino]ethylphosphonic acid Openeye Name: 2-[[5-(4-ethylphenyl)-6-(4-pyridyl)-2-pyridyl]methylamino]ethylphosphonic acid CAS Name: 2-[[5-(4-ethylphenyl)-6-pyridin-4-yl-2-pyridinyl]methylamino]ethylphosphonic acid IUPAC Name: 2-[[5-(4-ethylphenyl)-6-pyridin-4-ylpyridin-2-yl]methylamino]ethylphosphonic acid Traditional Name: 2-[[5-(4-ethylphenyl)-6-(4-pyridyl)-2-pyridyl]methylamino]ethylphosphonic acid Formula: C21H24N3O3P MolecularWeight: 397.407321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N3O3P/c1-2-16-3-5-17(6-4-16)20-8-7-19(15-23-13-14-28(25,26)27)24-21(20)18-9-11-22-12-10-18/h3-12,23H,2,13-15H2,1H3,(H2,25,26,27)