2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoylamino]ethyl benzoate

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoylamino]ethyl benzoate Openeye Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoylamino]ethyl benzoate CAS Name: benzoic acid 2-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropyl]amino]ethyl ester IUPAC Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]ethyl benzoate Traditional Name: benzoic acid 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoylamino]ethyl ester Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C26H35NO4/c1-25(2,3)20-16-18(17-21(23(20)29)26(4,5)6)12-13-22(28)27-14-15-31-24(30)19-10-8-7-9-11-19/h7-11,16-17,29H,12-15H2,1-6H3,(H,27,28)