4-tert-butyl-5-[[3-(2-methoxypyridin-3-yl)-7-methyl-octanoyl]amino]-2-methyl-benzoic acid

Systemtic Name: 4-tert-butyl-5-[[3-(2-methoxypyridin-3-yl)-7-methyl-octanoyl]amino]-2-methyl-benzoic acid Openeye Name: 4-tert-butyl-5-[[3-(2-methoxy-3-pyridyl)-7-methyl-octanoyl]amino]-2-methyl-benzoic acid CAS Name: 4-tert-butyl-5-[[3-(2-methoxy-3-pyridinyl)-7-methyl-1-oxooctyl]amino]-2-methylbenzoic acid IUPAC Name: 4-tert-butyl-5-[[3-(2-methoxypyridin-3-yl)-7-methyloctanoyl]amino]-2-methylbenzoic acid Traditional Name: 4-tert-butyl-5-[[3-(2-methoxy-3-pyridyl)-7-methyl-octanoyl]amino]-2-methyl-benzoic acid Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)NC(=O)CC(CCCC(C)C)C2=C(N=CC=C2)OC)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)NC(=O)CC(CCCC(C)C)C2=C(N=CC=C2)OC)C(C)(C)C

InChI

InChI=1S/C27H38N2O4/c1-17(2)10-8-11-19(20-12-9-13-28-25(20)33-7)15-24(30)29-23-16-21(26(31)32)18(3)14-22(23)27(4,5)6/h9,12-14,16-17,19H,8,10-11,15H2,1-7H3,(H,29,30)(H,31,32)