[2-methyl-3-oxidanyl-5-[2-(9-phenylnonanoyloxy)tetradecanoylamino]oxan-4-yl] 9-phenylnonanoate

Systemtic Name: [2-methyl-3-oxidanyl-5-[2-(9-phenylnonanoyloxy)tetradecanoylamino]oxan-4-yl] 9-phenylnonanoate Openeye Name: [3-hydroxy-2-methyl-5-[2-(9-phenylnonanoyloxy)tetradecanoylamino]tetrahydropyran-4-yl] 9-phenylnonanoate CAS Name: 9-phenylnonanoic acid [3-hydroxy-2-methyl-5-[[1-oxo-2-(1-oxo-9-phenylnonoxy)tetradecyl]amino]-4-oxanyl] ester IUPAC Name: [3-hydroxy-2-methyl-5-[2-(9-phenylnonanoyloxy)tetradecanoylamino]oxan-4-yl] 9-phenylnonanoate Traditional Name: 9-phenylpelargonic acid [3-hydroxy-2-methyl-5-[2-(9-phenylnonanoyloxy)tetradecanoylamino]tetrahydropyran-4-yl] ester Formula: C50H79NO7 MolecularWeight: 806.16476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)NC1COC(C(C1OC(=O)CCCCCCCCC2=CC=CC=C2)O)C)OC(=O)CCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)NC1COC(C(C1OC(=O)CCCCCCCCC2=CC=CC=C2)O)C)OC(=O)CCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C50H79NO7/c1-3-4-5-6-7-8-9-10-17-28-37-45(57-46(52)38-29-18-13-11-15-22-31-42-33-24-20-25-34-42)50(55)51-44-40-56-41(2)48(54)49(44)58-47(53)39-30-19-14-12-16-23-32-43-35-26-21-27-36-43/h20-21,24-27,33-36,41,44-45,48-49,54H,3-19,22-23,28-32,37-40H2,1-2H3,(H,51,55)