N-icosyl-5-[4-[6-(icosylamino)-2-methyl-6-oxidanylidene-hexan-2-yl]-2-methoxy-5-oxidanyl-phenyl]-5-methyl-hexanamide

Systemtic Name: N-icosyl-5-[4-[6-(icosylamino)-2-methyl-6-oxidanylidene-hexan-2-yl]-2-methoxy-5-oxidanyl-phenyl]-5-methyl-hexanamide Openeye Name: 5-[5-hydroxy-4-[5-(icosylamino)-1,1-dimethyl-5-oxo-pentyl]-2-methoxy-phenyl]-N-icosyl-5-methyl-hexanamide CAS Name: N-eicosyl-5-[4-[6-(eicosylamino)-2-methyl-6-oxohexan-2-yl]-5-hydroxy-2-methoxyphenyl]-5-methylhexanamide IUPAC Name: 5-[5-hydroxy-4-[6-(icosylamino)-2-methyl-6-oxohexan-2-yl]-2-methoxyphenyl]-N-icosyl-5-methylhexanamide Traditional Name: N-arachyl-5-[4-[5-(arachylamino)-5-keto-1,1-dimethyl-pentyl]-5-hydroxy-2-methoxy-phenyl]-5-methyl-hexanamide Formula: C61H114N2O4 MolecularWeight: 939.56886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCNC(=O)CCCC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)CCCC(=O)NCCCCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCNC(=O)CCCC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)CCCC(=O)NCCCCCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C61H114N2O4/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-50-62-58(65)46-44-48-60(3,4)54-53-57(67-7)55(52-56(54)64)61(5,6)49-45-47-59(66)63-51-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2/h52-53,64H,8-51H2,1-7H3,(H,62,65)(H,63,66)