[5-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-methyl-amino]-1-ethoxy-1-oxidanylidene-pentan-2-yl]phosphonic acid

Systemtic Name: [5-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-methyl-amino]-1-ethoxy-1-oxidanylidene-pentan-2-yl]phosphonic acid Openeye Name: [1-ethoxycarbonyl-4-[methyl-[(4E)-1,5,9-trimethyldeca-4,8-dienyl]amino]butyl]phosphonic acid CAS Name: [5-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-methylamino]-1-ethoxy-1-oxopentan-2-yl]phosphonic acid IUPAC Name: [5-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-methylamino]-1-ethoxy-1-oxopentan-2-yl]phosphonic acid Traditional Name: [1-carbethoxy-4-[methyl-[(4E)-1,5,9-trimethyldeca-4,8-dienyl]amino]butyl]phosphonic acid Formula: C21H40NO5P MolecularWeight: 417.519761

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCN(C)C(C)CCC=C(C)CCC=C(C)C)P(=O)(O)O

Isomeric SMILES

CCOC(=O)C(CCCN(C)C(C)CC/C=C(\C)/CCC=C(C)C)P(=O)(O)O

InChI

InChI=1S/C21H40NO5P/c1-7-27-21(23)20(28(24,25)26)15-10-16-22(6)19(5)14-9-13-18(4)12-8-11-17(2)3/h11,13,19-20H,7-10,12,14-16H2,1-6H3,(H2,24,25,26)/b18-13+