4-tert-butyl-3-[3-(2-methoxy-4-methyl-phenyl)octanoylamino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[3-(2-methoxy-4-methyl-phenyl)octanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-(2-methoxy-4-methyl-phenyl)octanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-(2-methoxy-4-methylphenyl)-1-oxooctyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-(2-methoxy-4-methylphenyl)octanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-(2-methoxy-4-methyl-phenyl)octanoylamino]benzoic acid Formula: C27H37NO4 MolecularWeight: 439.58698

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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)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)OC

InChI

InChI=1S/C27H37NO4/c1-7-8-9-10-19(21-13-11-18(2)15-24(21)32-6)17-25(29)28-23-16-20(26(30)31)12-14-22(23)27(3,4)5/h11-16,19H,7-10,17H2,1-6H3,(H,28,29)(H,30,31)