4-tert-butyl-3-[3-(2,4-dimethoxy-5-methyl-phenyl)octanoylamino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[3-(2,4-dimethoxy-5-methyl-phenyl)octanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-(2,4-dimethoxy-5-methyl-phenyl)octanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-(2,4-dimethoxy-5-methylphenyl)-1-oxooctyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-(2,4-dimethoxy-5-methylphenyl)octanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-(2,4-dimethoxy-5-methyl-phenyl)octanoylamino]benzoic acid Formula: C28H39NO5 MolecularWeight: 469.61296

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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=C(C=C(C(=C2)C)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H39NO5/c1-8-9-10-11-19(21-14-18(2)24(33-6)17-25(21)34-7)16-26(30)29-23-15-20(27(31)32)12-13-22(23)28(3,4)5/h12-15,17,19H,8-11,16H2,1-7H3,(H,29,30)(H,31,32)