4-tert-butyl-3-[3-(2,6-dimethoxyphenyl)octanoylamino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[3-(2,6-dimethoxyphenyl)octanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-(2,6-dimethoxyphenyl)octanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-(2,6-dimethoxyphenyl)-1-oxooctyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-(2,6-dimethoxyphenyl)octanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-(2,6-dimethoxyphenyl)octanoylamino]benzoic acid Formula: C27H37NO5 MolecularWeight: 455.58638

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=CC=C2OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO5/c1-7-8-9-11-18(25-22(32-5)12-10-13-23(25)33-6)17-24(29)28-21-16-19(26(30)31)14-15-20(21)27(2,3)4/h10,12-16,18H,7-9,11,17H2,1-6H3,(H,28,29)(H,30,31)