4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-5-methyl-hexanoyl]amino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-5-methyl-hexanoyl]amino]benzoic acid Openeye Name: 4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-5-methyl-hexanoyl]amino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-5-methyl-1-oxohexyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-5-methylhexanoyl]amino]benzoic acid Traditional Name: 4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-5-methyl-hexanoyl]amino]benzoic acid Formula: C26H35NO5 MolecularWeight: 441.5598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO5/c1-16(2)12-18(20-10-9-19(31-6)15-23(20)32-7)14-24(28)27-22-13-17(25(29)30)8-11-21(22)26(3,4)5/h8-11,13,15-16,18H,12,14H2,1-7H3,(H,27,28)(H,29,30)