methyl 4-tert-butyl-3-[3-(2-methoxy-4-oxidanyl-phenyl)octanoylamino]benzoate

Systemtic Name: methyl 4-tert-butyl-3-[3-(2-methoxy-4-oxidanyl-phenyl)octanoylamino]benzoate Openeye Name: methyl 4-tert-butyl-3-[3-(4-hydroxy-2-methoxy-phenyl)octanoylamino]benzoate CAS Name: 4-tert-butyl-3-[[3-(4-hydroxy-2-methoxyphenyl)-1-oxooctyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-tert-butyl-3-[3-(4-hydroxy-2-methoxyphenyl)octanoylamino]benzoate Traditional Name: 4-tert-butyl-3-[3-(4-hydroxy-2-methoxy-phenyl)octanoylamino]benzoic acid methyl ester Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO5/c1-7-8-9-10-18(21-13-12-20(29)17-24(21)32-5)16-25(30)28-23-15-19(26(31)33-6)11-14-22(23)27(2,3)4/h11-15,17-18,29H,7-10,16H2,1-6H3,(H,28,30)