3-[2-(3-acetamido-4-ethoxy-3-ethoxycarbonyl-4-oxidanylidene-butyl)phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[2-(3-acetamido-4-ethoxy-3-ethoxycarbonyl-4-oxidanylidene-butyl)phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[2-(3-acetamido-4-ethoxy-3-ethoxycarbonyl-4-oxo-butyl)phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[2-(3-acetamido-4-ethoxy-3-ethoxycarbonyl-4-oxobutyl)phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[2-(3-acetamido-4-ethoxy-3-ethoxycarbonyl-4-oxobutyl)phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[2-(3-acetamido-3-carbethoxy-4-ethoxy-4-keto-butyl)phenyl]-1-ethyl-propyl]phosphonic acid Formula: C22H34NO8P MolecularWeight: 471.481021

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=CC=C1CCC(C(=O)OCC)(C(=O)OCC)NC(=O)C)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=CC=C1CCC(C(=O)OCC)(C(=O)OCC)NC(=O)C)P(=O)(O)O

InChI

InChI=1S/C22H34NO8P/c1-6-21(7-2,32(27,28)29)18-13-11-10-12-17(18)14-15-22(23-16(5)24,19(25)30-8-3)20(26)31-9-4/h10-13H,6-9,14-15H2,1-5H3,(H,23,24)(H2,27,28,29)