[(E)-3-[2-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hept-4-en-3-yl]phosphonic acid

Systemtic Name: [(E)-3-[2-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hept-4-en-3-yl]phosphonic acid Openeye Name: [(E)-1-(1-tert-butoxycarbonyl-2-ethoxycarbonyl-4-piperidyl)-1-ethyl-pent-2-enyl]phosphonic acid CAS Name: [(E)-3-[2-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]hept-4-en-3-yl]phosphonic acid IUPAC Name: [(E)-3-[2-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hept-4-en-3-yl]phosphonic acid Traditional Name: [(E)-1-(1-tert-butoxycarbonyl-2-carbethoxy-4-piperidyl)-1-ethyl-pent-2-enyl]phosphonic acid Formula: C20H36NO7P MolecularWeight: 433.476101

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(CC)(C1CCN(C(C1)C(=O)OCC)C(=O)OC(C)(C)C)P(=O)(O)O

Isomeric SMILES

CC/C=C/C(CC)(C1CCN(C(C1)C(=O)OCC)C(=O)OC(C)(C)C)P(=O)(O)O

InChI

InChI=1S/C20H36NO7P/c1-7-10-12-20(8-2,29(24,25)26)15-11-13-21(18(23)28-19(4,5)6)16(14-15)17(22)27-9-3/h10,12,15-16H,7-9,11,13-14H2,1-6H3,(H2,24,25,26)/b12-10+