[2,6-dimethyl-4-(tetracosylcarbamoyl)phenyl] 3,5-dimethyl-4-oxidanyl-benzoate

Systemtic Name: [2,6-dimethyl-4-(tetracosylcarbamoyl)phenyl] 3,5-dimethyl-4-oxidanyl-benzoate Openeye Name: [2,6-dimethyl-4-(tetracosylcarbamoyl)phenyl] 4-hydroxy-3,5-dimethyl-benzoate CAS Name: 4-hydroxy-3,5-dimethylbenzoic acid [2,6-dimethyl-4-[oxo-(tetracosylamino)methyl]phenyl] ester IUPAC Name: [2,6-dimethyl-4-(tetracosylcarbamoyl)phenyl] 4-hydroxy-3,5-dimethylbenzoate Traditional Name: 4-hydroxy-3,5-dimethyl-benzoic acid [4-(lignocerylcarbamoyl)-2,6-dimethyl-phenyl] ester Formula: C42H67NO4 MolecularWeight: 649.98568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=C(C(=C1)C)OC(=O)C2=CC(=C(C(=C2)C)O)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=C(C(=C1)C)OC(=O)C2=CC(=C(C(=C2)C)O)C)C

InChI

InChI=1S/C42H67NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-43-41(45)37-31-35(4)40(36(5)32-37)47-42(46)38-29-33(2)39(44)34(3)30-38/h29-32,44H,6-28H2,1-5H3,(H,43,45)