4-tert-butyl-3-[3-(2-methoxypyridin-3-yl)octanoylamino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[3-(2-methoxypyridin-3-yl)octanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-(2-methoxy-3-pyridyl)octanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-(2-methoxy-3-pyridinyl)-1-oxooctyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-(2-methoxypyridin-3-yl)octanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-(2-methoxy-3-pyridyl)octanoylamino]benzoic acid Formula: C25H34N2O4 MolecularWeight: 426.54846

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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(N=CC=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O4/c1-6-7-8-10-17(19-11-9-14-26-23(19)31-5)16-22(28)27-21-15-18(24(29)30)12-13-20(21)25(2,3)4/h9,11-15,17H,6-8,10,16H2,1-5H3,(H,27,28)(H,29,30)