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

Systemtic Name: [2,2-dimethyl-3-(octadecanoylamino)propyl] 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: [2,2-dimethyl-3-(octadecanoylamino)propyl] 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid [2,2-dimethyl-3-(1-oxooctadecylamino)propyl] ester IUPAC Name: [2,2-dimethyl-3-(octadecanoylamino)propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid (2,2-dimethyl-3-stearamido-propyl) ester Formula: C40H71NO4 MolecularWeight: 629.99604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC(C)(C)COC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC(C)(C)COC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C40H71NO4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(42)41-30-40(8,9)31-45-36(43)27-26-32-28-33(38(2,3)4)37(44)34(29-32)39(5,6)7/h28-29,44H,10-27,30-31H2,1-9H3,(H,41,42)