[(1R,2S)-2-(dimethylamino)-1-phenyl-propyl] (2S,3S,5R)-2-hexyl-3-oxidanyl-5-phenylmethoxy-hexadecanoate

Systemtic Name: [(1R,2S)-2-(dimethylamino)-1-phenyl-propyl] (2S,3S,5R)-2-hexyl-3-oxidanyl-5-phenylmethoxy-hexadecanoate Openeye Name: [(1R,2S)-2-(dimethylamino)-1-phenyl-propyl] (2S,3S,5R)-5-benzyloxy-2-hexyl-3-hydroxy-hexadecanoate CAS Name: (2S,3S,5R)-2-hexyl-3-hydroxy-5-phenylmethoxyhexadecanoic acid [(1R,2S)-2-(dimethylamino)-1-phenylpropyl] ester IUPAC Name: [(1R,2S)-2-(dimethylamino)-1-phenylpropyl] (2S,3S,5R)-2-hexyl-3-hydroxy-5-phenylmethoxyhexadecanoate Traditional Name: (2S,3S,5R)-5-benzoxy-2-hexyl-3-hydroxy-palmitic acid [(1R,2S)-2-(dimethylamino)-1-phenyl-propyl] ester Formula: C40H65NO4 MolecularWeight: 623.9484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)OC(C1=CC=CC=C1)C(C)N(C)C)O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCC[C@H](C[C@@H]([C@H](CCCCCC)C(=O)O[C@H](C1=CC=CC=C1)[C@H](C)N(C)C)O)OCC2=CC=CC=C2

InChI

InChI=1S/C40H65NO4/c1-6-8-10-12-13-14-15-16-23-29-36(44-32-34-25-19-17-20-26-34)31-38(42)37(30-24-11-9-7-2)40(43)45-39(33(3)41(4)5)35-27-21-18-22-28-35/h17-22,25-28,33,36-39,42H,6-16,23-24,29-32H2,1-5H3/t33-,36+,37-,38-,39-/m0/s1