[4-[3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]propanoylamino]phenyl] (E)-octadec-9-enoate

Systemtic Name: [4-[3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]propanoylamino]phenyl] (E)-octadec-9-enoate Openeye Name: [4-[3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanoylamino]phenyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [4-[[1-oxo-3-[[oxo-(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methyl]amino]propyl]amino]phenyl] ester IUPAC Name: [4-[3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanoylamino]phenyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [4-[3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanoylamino]phenyl] ester Formula: C36H58N2O6 MolecularWeight: 614.85552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1=CC=C(C=C1)NC(=O)CCNC(=O)C2C(COC(O2)(C)C)(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC1=CC=C(C=C1)NC(=O)CCNC(=O)C2C(COC(O2)(C)C)(C)C

InChI

InChI=1S/C36H58N2O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(40)43-30-24-22-29(23-25-30)38-31(39)26-27-37-34(41)33-35(2,3)28-42-36(4,5)44-33/h13-14,22-25,33H,6-12,15-21,26-28H2,1-5H3,(H,37,41)(H,38,39)/b14-13+