3-[2-[(2-ethyl-2-formamidooxycarbonyl-butanoyl)oxymethyl]phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[2-[(2-ethyl-2-formamidooxycarbonyl-butanoyl)oxymethyl]phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[2-[(2-ethyl-2-formamidooxycarbonyl-butanoyl)oxymethyl]phenyl]propyl]phosphonic acid CAS Name: 3-[2-[[2-ethyl-2-[formamidooxy(oxo)methyl]-1-oxobutoxy]methyl]phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[2-[(2-ethyl-2-formamidooxycarbonylbutanoyl)oxymethyl]phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-[2-[(2-ethyl-2-formamidooxycarbonyl-butanoyl)oxymethyl]phenyl]propyl]phosphonic acid Formula: C20H30NO8P MolecularWeight: 443.427861

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=CC=C1COC(=O)C(CC)(CC)C(=O)ONC=O)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=CC=C1COC(=O)C(CC)(CC)C(=O)ONC=O)P(=O)(O)O

InChI

InChI=1S/C20H30NO8P/c1-5-19(6-2,18(24)29-21-14-22)17(23)28-13-15-11-9-10-12-16(15)20(7-3,8-4)30(25,26)27/h9-12,14H,5-8,13H2,1-4H3,(H,21,22)(H2,25,26,27)