4-tert-butyl-3-[3-(5-cyano-2,4-dimethoxy-phenyl)octanoylamino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[3-(5-cyano-2,4-dimethoxy-phenyl)octanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-(5-cyano-2,4-dimethoxy-phenyl)octanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-(5-cyano-2,4-dimethoxyphenyl)-1-oxooctyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-(5-cyano-2,4-dimethoxyphenyl)octanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-(5-cyano-2,4-dimethoxy-phenyl)octanoylamino]benzoic acid Formula: C28H36N2O5 MolecularWeight: 480.59584

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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)C#N)OC)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=C(C=C(C(=C2)C#N)OC)OC

InChI

InChI=1S/C28H36N2O5/c1-7-8-9-10-18(21-13-20(17-29)24(34-5)16-25(21)35-6)15-26(31)30-23-14-19(27(32)33)11-12-22(23)28(2,3)4/h11-14,16,18H,7-10,15H2,1-6H3,(H,30,31)(H,32,33)