N-[3-[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]-4-methoxy-phenyl]-2-[[2,2,4-trimethyl-7-(2-methylheptan-2-yl)-3,4-dihydrochromen-6-yl]oxy]octanamide

Systemtic Name: N-[3-[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]-4-methoxy-phenyl]-2-[[2,2,4-trimethyl-7-(2-methylheptan-2-yl)-3,4-dihydrochromen-6-yl]oxy]octanamide Openeye Name: N-[3-[(2-chloro-4,4-dimethyl-3-oxo-pentanoyl)amino]-4-methoxy-phenyl]-2-[7-(1,1-dimethylhexyl)-2,2,4-trimethyl-chroman-6-yl]oxy-octanamide CAS Name: N-[3-[(2-chloro-4,4-dimethyl-1,3-dioxopentyl)amino]-4-methoxyphenyl]-2-[[2,2,4-trimethyl-7-(2-methylheptan-2-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy]octanamide IUPAC Name: N-[3-[(2-chloro-4,4-dimethyl-3-oxopentanoyl)amino]-4-methoxyphenyl]-2-[[2,2,4-trimethyl-7-(2-methylheptan-2-yl)-3,4-dihydrochromen-6-yl]oxy]octanamide Traditional Name: N-[3-[(2-chloro-3-keto-4,4-dimethyl-pentanoyl)amino]-4-methoxy-phenyl]-2-[7-(1,1-dimethylhexyl)-2,2,4-trimethyl-chroman-6-yl]oxy-caprylamide Formula: C42H63ClN2O6 MolecularWeight: 727.41242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)NC1=CC(=C(C=C1)OC)NC(=O)C(C(=O)C(C)(C)C)Cl)OC2=C(C=C3C(=C2)C(CC(O3)(C)C)C)C(C)(C)CCCCC

Isomeric SMILES

CCCCCCC(C(=O)NC1=CC(=C(C=C1)OC)NC(=O)C(C(=O)C(C)(C)C)Cl)OC2=C(C=C3C(=C2)C(CC(O3)(C)C)C)C(C)(C)CCCCC

InChI

InChI=1S/C42H63ClN2O6/c1-12-14-16-17-19-33(38(47)44-28-20-21-32(49-11)31(23-28)45-39(48)36(43)37(46)40(4,5)6)50-35-24-29-27(3)26-42(9,10)51-34(29)25-30(35)41(7,8)22-18-15-13-2/h20-21,23-25,27,33,36H,12-19,22,26H2,1-11H3,(H,44,47)(H,45,48)