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

Systemtic Name: 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)hexanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)hexanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-1-oxohexyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)hexanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)hexanoylamino]benzoic acid Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(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/C25H33NO5/c1-7-8-16(19-11-10-18(30-5)15-22(19)31-6)14-23(27)26-21-13-17(24(28)29)9-12-20(21)25(2,3)4/h9-13,15-16H,7-8,14H2,1-6H3,(H,26,27)(H,28,29)