[2-(hexadecanoylamino)-2-methyl-propyl] 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: [2-(hexadecanoylamino)-2-methyl-propyl] 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: [2-(hexadecanoylamino)-2-methyl-propyl] 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid [2-methyl-2-(1-oxohexadecylamino)propyl] ester IUPAC Name: [2-(hexadecanoylamino)-2-methylpropyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid (2-methyl-2-palmitamido-propyl) ester Formula: C37H65NO4 MolecularWeight: 587.9163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(C)(C)COC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(C)(C)COC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C37H65NO4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32(39)38-37(8,9)28-42-33(40)25-24-29-26-30(35(2,3)4)34(41)31(27-29)36(5,6)7/h26-27,41H,10-25,28H2,1-9H3,(H,38,39)