4-tert-butyl-3-[[3-(2-methoxypyridin-3-yl)-7-methyl-octanoyl]amino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[[3-(2-methoxypyridin-3-yl)-7-methyl-octanoyl]amino]benzoic acid Openeye Name: 4-tert-butyl-3-[[3-(2-methoxy-3-pyridyl)-7-methyl-octanoyl]amino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-(2-methoxy-3-pyridinyl)-7-methyl-1-oxooctyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[[3-(2-methoxypyridin-3-yl)-7-methyloctanoyl]amino]benzoic acid Traditional Name: 4-tert-butyl-3-[[3-(2-methoxy-3-pyridyl)-7-methyl-octanoyl]amino]benzoic acid Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O4/c1-17(2)9-7-10-18(20-11-8-14-27-24(20)32-6)16-23(29)28-22-15-19(25(30)31)12-13-21(22)26(3,4)5/h8,11-15,17-18H,7,9-10,16H2,1-6H3,(H,28,29)(H,30,31)