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

Systemtic Name: 3-[2-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[2-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxo-propyl)phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[2-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[2-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[2-(2-acetamido-2-carbethoxy-3-ethoxy-3-keto-propyl)phenyl]-1-ethyl-propyl]phosphonic acid Formula: C21H32NO8P MolecularWeight: 457.454441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32NO8P/c1-6-20(7-2,31(26,27)28)17-13-11-10-12-16(17)14-21(22-15(5)23,18(24)29-8-3)19(25)30-9-4/h10-13H,6-9,14H2,1-5H3,(H,22,23)(H2,26,27,28)