4-[[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoylamino]methyl]benzoic acid Openeye Name: 4-[[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoylamino]methyl]benzoic acid CAS Name: 4-[[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]methyl]benzoic acid Traditional Name: 4-[[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoylamino]methyl]benzoic acid Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C25H33NO4/c1-24(2,3)19-13-17(14-20(22(19)28)25(4,5)6)9-12-21(27)26-15-16-7-10-18(11-8-16)23(29)30/h7-8,10-11,13-14,28H,9,12,15H2,1-6H3,(H,26,27)(H,29,30)