[(4-oxidanylidene-5-phenylmethoxy-pyran-2-yl)-[(phenylmethyl)amino]methyl]phosphonic acid

Systemtic Name: [(4-oxidanylidene-5-phenylmethoxy-pyran-2-yl)-[(phenylmethyl)amino]methyl]phosphonic acid Openeye Name: [(benzylamino)-(5-benzyloxy-4-oxo-pyran-2-yl)methyl]phosphonic acid CAS Name: [(4-oxo-5-phenylmethoxy-2-pyranyl)-[(phenylmethyl)amino]methyl]phosphonic acid IUPAC Name: [(benzylamino)-(4-oxo-5-phenylmethoxypyran-2-yl)methyl]phosphonic acid Traditional Name: [(5-benzoxy-4-keto-pyran-2-yl)-(benzylamino)methyl]phosphonic acid Formula: C20H20NO6P MolecularWeight: 401.349661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(C2=CC(=O)C(=CO2)OCC3=CC=CC=C3)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(C2=CC(=O)C(=CO2)OCC3=CC=CC=C3)P(=O)(O)O

InChI

InChI=1S/C20H20NO6P/c22-17-11-18(27-14-19(17)26-13-16-9-5-2-6-10-16)20(28(23,24)25)21-12-15-7-3-1-4-8-15/h1-11,14,20-21H,12-13H2,(H2,23,24,25)