[[4-(diethylamino)phenyl]-(pyridin-2-ylamino)methyl]phosphonic acid

Systemtic Name: [[4-(diethylamino)phenyl]-(pyridin-2-ylamino)methyl]phosphonic acid Openeye Name: [[4-(diethylamino)phenyl]-(2-pyridylamino)methyl]phosphonic acid CAS Name: [[4-(diethylamino)phenyl]-(2-pyridinylamino)methyl]phosphonic acid IUPAC Name: [[4-(diethylamino)phenyl]-(pyridin-2-ylamino)methyl]phosphonic acid Traditional Name: [[4-(diethylamino)phenyl]-(2-pyridylamino)methyl]phosphonic acid Formula: C16H22N3O3P MolecularWeight: 335.337941

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(NC2=CC=CC=N2)P(=O)(O)O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(NC2=CC=CC=N2)P(=O)(O)O

InChI

InChI=1S/C16H22N3O3P/c1-3-19(4-2)14-10-8-13(9-11-14)16(23(20,21)22)18-15-7-5-6-12-17-15/h5-12,16H,3-4H2,1-2H3,(H,17,18)(H2,20,21,22)