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

Systemtic Name: N-butylmethanamide; methyl 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)octanoylamino]benzoate Openeye Name: N-butylformamide; methyl 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)octanoylamino]benzoate CAS Name: 4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-1-oxooctyl]amino]benzoic acid methyl ester; N-butylformamide IUPAC Name: N-butylformamide; methyl 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)octanoylamino]benzoate Traditional Name: 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)octanoylamino]benzoic acid methyl ester; N-butylformamide Formula: C33H50N2O6 MolecularWeight: 570.7599

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H39NO5.C5H11NO/c1-8-9-10-11-19(22-14-13-21(32-5)18-25(22)33-6)17-26(30)29-24-16-20(27(31)34-7)12-15-23(24)28(2,3)4;1-2-3-4-6-5-7/h12-16,18-19H,8-11,17H2,1-7H3,(H,29,30);5H,2-4H2,1H3,(H,6,7)