4-tert-butyl-3-[[3-(2,6-dimethoxypyridin-3-yl)-7-methyl-octanoyl]amino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[[3-(2,6-dimethoxypyridin-3-yl)-7-methyl-octanoyl]amino]benzoic acid Openeye Name: 4-tert-butyl-3-[[3-(2,6-dimethoxy-3-pyridyl)-7-methyl-octanoyl]amino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-(2,6-dimethoxy-3-pyridinyl)-7-methyl-1-oxooctyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[[3-(2,6-dimethoxypyridin-3-yl)-7-methyloctanoyl]amino]benzoic acid Traditional Name: 4-tert-butyl-3-[[3-(2,6-dimethoxy-3-pyridyl)-7-methyl-octanoyl]amino]benzoic acid Formula: C27H38N2O5 MolecularWeight: 470.60102

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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=C(C=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O5/c1-17(2)9-8-10-18(20-12-14-24(33-6)29-25(20)34-7)16-23(30)28-22-15-19(26(31)32)11-13-21(22)27(3,4)5/h11-15,17-18H,8-10,16H2,1-7H3,(H,28,30)(H,31,32)