[(E)-2-(hexadecanoylamino)octadec-4-en-3-yl] benzoate

Systemtic Name: [(E)-2-(hexadecanoylamino)octadec-4-en-3-yl] benzoate Openeye Name: [(E)-1-[1-(hexadecanoylamino)ethyl]hexadec-2-enyl] benzoate CAS Name: benzoic acid [(E)-2-(1-oxohexadecylamino)octadec-4-en-3-yl] ester IUPAC Name: [(E)-2-(hexadecanoylamino)octadec-4-en-3-yl] benzoate Traditional Name: benzoic acid [(E)-1-(1-palmitamidoethyl)hexadec-2-enyl] ester Formula: C41H71NO3 MolecularWeight: 626.00734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(C)C(C=CCCCCCCCCCCCCC)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(C)C(/C=C/CCCCCCCCCCCCC)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C41H71NO3/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-35-39(45-41(44)38-33-29-28-30-34-38)37(3)42-40(43)36-32-27-25-23-21-19-17-15-13-11-9-7-5-2/h28-31,33-35,37,39H,4-27,32,36H2,1-3H3,(H,42,43)/b35-31+