(E)-N-ethyl-2-(octadecanoylamino)docos-13-enamide

Systemtic Name: (E)-N-ethyl-2-(octadecanoylamino)docos-13-enamide Openeye Name: (E)-N-ethyl-2-(octadecanoylamino)docos-13-enamide CAS Name: (E)-N-ethyl-2-(1-oxooctadecylamino)-13-docosenamide IUPAC Name: (E)-N-ethyl-2-(octadecanoylamino)docos-13-enamide Traditional Name: (E)-N-ethyl-2-stearamido-docos-13-enamide Formula: C42H82N2O2 MolecularWeight: 647.11268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCCCCCCCCCC=CCCCCCCCC)C(=O)NCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CCCCCCCCCC/C=C/CCCCCCCC)C(=O)NCC

InChI

InChI=1S/C42H82N2O2/c1-4-7-9-11-13-15-17-19-21-22-23-25-26-28-30-32-34-36-38-40(42(46)43-6-3)44-41(45)39-37-35-33-31-29-27-24-20-18-16-14-12-10-8-5-2/h19,21,40H,4-18,20,22-39H2,1-3H3,(H,43,46)(H,44,45)/b21-19+