[2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-3-phenyl-propyl] 3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]propanoate

Systemtic Name: [2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-3-phenyl-propyl] 3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]propanoate Openeye Name: [2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-3-phenyl-propyl] 3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanoate CAS Name: 3-[[oxo-(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methyl]amino]propanoic acid [2-[[(9E,12E)-1-oxooctadeca-9,12-dienyl]amino]-3-phenylpropyl] ester IUPAC Name: [2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-3-phenylpropyl] 3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanoate Traditional Name: 3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propionic acid [2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-3-phenyl-propyl] ester Formula: C39H62N2O6 MolecularWeight: 654.91938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)NC(CC1=CC=CC=C1)COC(=O)CCNC(=O)C2C(COC(O2)(C)C)(C)C

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)NC(CC1=CC=CC=C1)COC(=O)CCNC(=O)C2C(COC(O2)(C)C)(C)C

InChI

InChI=1S/C39H62N2O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-34(42)41-33(29-32-24-21-20-22-25-32)30-45-35(43)27-28-40-37(44)36-38(2,3)31-46-39(4,5)47-36/h10-11,13-14,20-22,24-25,33,36H,6-9,12,15-19,23,26-31H2,1-5H3,(H,40,44)(H,41,42)/b11-10+,14-13+