3-[2-(2-ethoxycarbonyl-2-formamidooxycarbonyl-butyl)phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[2-(2-ethoxycarbonyl-2-formamidooxycarbonyl-butyl)phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[2-(2-ethoxycarbonyl-2-formamidooxycarbonyl-butyl)phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[2-[2-ethoxycarbonyl-2-[formamidooxy(oxo)methyl]butyl]phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[2-(2-ethoxycarbonyl-2-formamidooxycarbonylbutyl)phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[2-(2-carbethoxy-2-formamidooxycarbonyl-butyl)phenyl]-1-ethyl-propyl]phosphonic acid Formula: C20H30NO8P MolecularWeight: 443.427861

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=CC=C1CC(CC)(C(=O)OCC)C(=O)ONC=O)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=CC=C1CC(CC)(C(=O)OCC)C(=O)ONC=O)P(=O)(O)O

InChI

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