4-tert-butyl-3-[3-(2,4,5-trimethoxyphenyl)octanoylamino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[3-(2,4,5-trimethoxyphenyl)octanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-(2,4,5-trimethoxyphenyl)octanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[1-oxo-3-(2,4,5-trimethoxyphenyl)octyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-(2,4,5-trimethoxyphenyl)octanoylamino]benzoic acid Traditional Name: 3-(3-asaryloctanoylamino)-4-tert-butyl-benzoic acid Formula: C28H39NO6 MolecularWeight: 485.61236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C28H39NO6/c1-8-9-10-11-18(20-16-24(34-6)25(35-7)17-23(20)33-5)15-26(30)29-22-14-19(27(31)32)12-13-21(22)28(2,3)4/h12-14,16-18H,8-11,15H2,1-7H3,(H,29,30)(H,31,32)