2-[2-[4-[2-(2-phosphonoethoxymethyl)prop-2-enoyl]piperazin-1-yl]carbonylprop-2-enoxy]ethylphosphonic acid

Systemtic Name: 2-[2-[4-[2-(2-phosphonoethoxymethyl)prop-2-enoyl]piperazin-1-yl]carbonylprop-2-enoxy]ethylphosphonic acid Openeye Name: 2-[2-[4-[2-(2-phosphonoethoxymethyl)prop-2-enoyl]piperazine-1-carbonyl]allyloxy]ethylphosphonic acid CAS Name: 2-[2-[oxo-[4-[1-oxo-2-(2-phosphonoethoxymethyl)prop-2-enyl]-1-piperazinyl]methyl]prop-2-enoxy]ethylphosphonic acid IUPAC Name: 2-[2-[4-[2-(2-phosphonoethoxymethyl)prop-2-enoyl]piperazine-1-carbonyl]prop-2-enoxy]ethylphosphonic acid Traditional Name: 2-[2-[4-[2-(2-phosphonoethoxymethyl)acryloyl]piperazine-1-carbonyl]allyloxy]ethylphosphonic acid Formula: C16H28N2O10P2 MolecularWeight: 470.348442

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Descriptors Computed from Structure

Canonical SMILES:

C=C(COCCP(=O)(O)O)C(=O)N1CCN(CC1)C(=O)C(=C)COCCP(=O)(O)O

Isomeric SMILES

C=C(COCCP(=O)(O)O)C(=O)N1CCN(CC1)C(=O)C(=C)COCCP(=O)(O)O

InChI

InChI=1S/C16H28N2O10P2/c1-13(11-27-7-9-29(21,22)23)15(19)17-3-5-18(6-4-17)16(20)14(2)12-28-8-10-30(24,25)26/h1-12H2,(H2,21,22,23)(H2,24,25,26)