2-[[(E)-octadec-9-enoyl]amino]butyl 3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]propanoate

Systemtic Name: 2-[[(E)-octadec-9-enoyl]amino]butyl 3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]propanoate Openeye Name: 2-[[(E)-octadec-9-enoyl]amino]butyl 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-[[(E)-1-oxooctadec-9-enyl]amino]butyl ester IUPAC Name: 2-[[(E)-octadec-9-enoyl]amino]butyl 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-[[(E)-octadec-9-enoyl]amino]butyl ester Formula: C34H62N2O6 MolecularWeight: 594.86588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(CC)COC(=O)CCNC(=O)C1C(COC(O1)(C)C)(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(CC)COC(=O)CCNC(=O)C1C(COC(O1)(C)C)(C)C

InChI

InChI=1S/C34H62N2O6/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(37)36-28(8-2)26-40-30(38)24-25-35-32(39)31-33(3,4)27-41-34(5,6)42-31/h15-16,28,31H,7-14,17-27H2,1-6H3,(H,35,39)(H,36,37)/b16-15+