4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)octanoylamino]benzoic acid; N-butylmethanamide

Systemtic Name: 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)octanoylamino]benzoic acid; N-butylmethanamide Openeye Name: 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)octanoylamino]benzoic acid; N-butylformamide CAS Name: 4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-1-oxooctyl]amino]benzoic acid; N-butylformamide IUPAC Name: 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)octanoylamino]benzoic acid; N-butylformamide Traditional Name: 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)octanoylamino]benzoic acid; N-butylformamide Formula: C32H48N2O6 MolecularWeight: 556.73332

Click to see the large picture

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)OC)OC.CCCCNC=O

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO5.C5H11NO/c1-7-8-9-10-18(21-13-12-20(32-5)17-24(21)33-6)16-25(29)28-23-15-19(26(30)31)11-14-22(23)27(2,3)4;1-2-3-4-6-5-7/h11-15,17-18H,7-10,16H2,1-6H3,(H,28,29)(H,30,31);5H,2-4H2,1H3,(H,6,7)