[isocyano-[4-(2-methylpropanoylamino)pyridin-2-yl]methyl] N-hexadecyl-N-octadecyl-carbamate

Systemtic Name: [isocyano-[4-(2-methylpropanoylamino)pyridin-2-yl]methyl] N-hexadecyl-N-octadecyl-carbamate Openeye Name: [isocyano-[4-(2-methylpropanoylamino)-2-pyridyl]methyl] N-hexadecyl-N-octadecyl-carbamate CAS Name: N-hexadecyl-N-octadecylcarbamic acid [isocyano-[4-[(2-methyl-1-oxopropyl)amino]-2-pyridinyl]methyl] ester IUPAC Name: [isocyano-[4-(2-methylpropanoylamino)pyridin-2-yl]methyl] N-hexadecyl-N-octadecylcarbamate Traditional Name: N-cetyl-N-stearyl-carbamic acid [[4-(isobutyrylamino)-2-pyridyl]-isocyano-methyl] ester Formula: C46H82N4O3 MolecularWeight: 739.16828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)OC(C1=NC=CC(=C1)NC(=O)C(C)C)[N+]#[C-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)OC(C1=NC=CC(=C1)NC(=O)C(C)C)[N+]#[C-]

InChI

InChI=1S/C46H82N4O3/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-39-50(38-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2)46(52)53-45(47-5)43-40-42(36-37-48-43)49-44(51)41(3)4/h36-37,40-41,45H,6-35,38-39H2,1-4H3,(H,48,49,51)