2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoylamino]hexanedioic acid

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoylamino]hexanedioic acid Openeye Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoylamino]hexanedioic acid CAS Name: 2-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropyl]amino]hexanedioic acid IUPAC Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexanedioic acid Traditional Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoylamino]adipic acid Formula: C23H35NO6 MolecularWeight: 421.5271

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NC(CCCC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NC(CCCC(=O)O)C(=O)O

InChI

InChI=1S/C23H35NO6/c1-22(2,3)15-12-14(13-16(20(15)28)23(4,5)6)10-11-18(25)24-17(21(29)30)8-7-9-19(26)27/h12-13,17,28H,7-11H2,1-6H3,(H,24,25)(H,26,27)(H,29,30)