[2-(hydroxymethyl)-3-methyl-6-oxidanyl-5-[3-(9-phenylnonanoyloxy)butanoylamino]oxan-4-yl] 9-phenylnonanoate

Systemtic Name: [2-(hydroxymethyl)-3-methyl-6-oxidanyl-5-[3-(9-phenylnonanoyloxy)butanoylamino]oxan-4-yl] 9-phenylnonanoate Openeye Name: [2-hydroxy-6-(hydroxymethyl)-5-methyl-3-[3-(9-phenylnonanoyloxy)butanoylamino]tetrahydropyran-4-yl] 9-phenylnonanoate CAS Name: 9-phenylnonanoic acid [2-hydroxy-6-(hydroxymethyl)-5-methyl-3-[[1-oxo-3-(1-oxo-9-phenylnonoxy)butyl]amino]-4-oxanyl] ester IUPAC Name: [2-hydroxy-6-(hydroxymethyl)-5-methyl-3-[3-(9-phenylnonanoyloxy)butanoylamino]oxan-4-yl] 9-phenylnonanoate Traditional Name: 9-phenylpelargonic acid [2-hydroxy-5-methyl-6-methylol-3-[3-(9-phenylnonanoyloxy)butanoylamino]tetrahydropyran-4-yl] ester Formula: C41H61NO8 MolecularWeight: 695.92494

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(C(C1OC(=O)CCCCCCCCC2=CC=CC=C2)NC(=O)CC(C)OC(=O)CCCCCCCCC3=CC=CC=C3)O)CO

Isomeric SMILES

CC1C(OC(C(C1OC(=O)CCCCCCCCC2=CC=CC=C2)NC(=O)CC(C)OC(=O)CCCCCCCCC3=CC=CC=C3)O)CO

InChI

InChI=1S/C41H61NO8/c1-31(48-37(45)27-19-9-5-3-7-13-21-33-23-15-11-16-24-33)29-36(44)42-39-40(32(2)35(30-43)49-41(39)47)50-38(46)28-20-10-6-4-8-14-22-34-25-17-12-18-26-34/h11-12,15-18,23-26,31-32,35,39-41,43,47H,3-10,13-14,19-22,27-30H2,1-2H3,(H,42,44)