methyl 5-[3-(dodecanoylamino)-2,4-bis(oxidanyl)phenyl]-5-methyl-hexanoate

Systemtic Name: methyl 5-[3-(dodecanoylamino)-2,4-bis(oxidanyl)phenyl]-5-methyl-hexanoate Openeye Name: methyl 5-[3-(dodecanoylamino)-2,4-dihydroxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[2,4-dihydroxy-3-(1-oxododecylamino)phenyl]-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-[3-(dodecanoylamino)-2,4-dihydroxyphenyl]-5-methylhexanoate Traditional Name: 5-[2,4-dihydroxy-3-(lauroylamino)phenyl]-5-methyl-hexanoic acid methyl ester Formula: C26H43NO5 MolecularWeight: 449.62332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=C(C=CC(=C1O)C(C)(C)CCCC(=O)OC)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=C(C=CC(=C1O)C(C)(C)CCCC(=O)OC)O

InChI

InChI=1S/C26H43NO5/c1-5-6-7-8-9-10-11-12-13-15-22(29)27-24-21(28)18-17-20(25(24)31)26(2,3)19-14-16-23(30)32-4/h17-18,28,31H,5-16,19H2,1-4H3,(H,27,29)