2-methylpropyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(octadecanoylamino)propanoate

Systemtic Name: 2-methylpropyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(octadecanoylamino)propanoate Openeye Name: isobutyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(octadecanoylamino)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(1-oxooctadecylamino)propanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(octadecanoylamino)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-stearamido-propionic acid isobutyl ester Formula: C39H69NO4 MolecularWeight: 615.96946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)OCC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)OCC(C)C

InChI

InChI=1S/C39H69NO4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(41)40-34(37(43)44-29-30(2)3)28-31-26-32(38(4,5)6)36(42)33(27-31)39(7,8)9/h26-27,30,34,42H,10-25,28-29H2,1-9H3,(H,40,41)