[2-diethoxyphosphoryl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]phosphonic acid

Systemtic Name: [2-diethoxyphosphoryl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]phosphonic acid Openeye Name: [4-[(tert-butoxycarbonylamino)methyl]-2-diethoxyphosphoryl-phenyl]phosphonic acid CAS Name: [2-diethoxyphosphoryl-4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]phosphonic acid IUPAC Name: [2-diethoxyphosphoryl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]phosphonic acid Traditional Name: [4-[(tert-butoxycarbonylamino)methyl]-2-diethoxyphosphoryl-phenyl]phosphonic acid Formula: C16H27NO8P2 MolecularWeight: 423.335002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(C=CC(=C1)CNC(=O)OC(C)(C)C)P(=O)(O)O)OCC

Isomeric SMILES

CCOP(=O)(C1=C(C=CC(=C1)CNC(=O)OC(C)(C)C)P(=O)(O)O)OCC

InChI

InChI=1S/C16H27NO8P2/c1-6-23-27(22,24-7-2)14-10-12(8-9-13(14)26(19,20)21)11-17-15(18)25-16(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,17,18)(H2,19,20,21)