[4-(2-cyanoethylamino)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hexadecanoate

Systemtic Name: [4-(2-cyanoethylamino)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hexadecanoate Openeye Name: [4-(2-cyanoethylamino)-3-hydroxy-2,2-dimethyl-4-oxo-butyl] hexadecanoate CAS Name: hexadecanoic acid [4-(2-cyanoethylamino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] ester IUPAC Name: [4-(2-cyanoethylamino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] hexadecanoate Traditional Name: palmitic acid [4-(2-cyanoethylamino)-3-hydroxy-4-keto-2,2-dimethyl-butyl] ester Formula: C25H46N2O4 MolecularWeight: 438.64374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C)(C)C(C(=O)NCCC#N)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(C)(C)C(C(=O)NCCC#N)O

InChI

InChI=1S/C25H46N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22(28)31-21-25(2,3)23(29)24(30)27-20-17-19-26/h23,29H,4-18,20-21H2,1-3H3,(H,27,30)