[(2R,3R,4R,5S)-3,4,5-tri(butanoyloxy)-1-hexadecyl-piperidin-2-yl]methyl butanoate

Systemtic Name: [(2R,3R,4R,5S)-3,4,5-tri(butanoyloxy)-1-hexadecyl-piperidin-2-yl]methyl butanoate Openeye Name: [(2R,3R,4R,5S)-3,4,5-tri(butanoyloxy)-1-hexadecyl-2-piperidyl]methyl butanoate CAS Name: butanoic acid [(2R,3R,4R,5S)-1-hexadecyl-3,4,5-tris(1-oxobutoxy)-2-piperidinyl]methyl ester IUPAC Name: [(2R,3R,4R,5S)-3,4,5-tri(butanoyloxy)-1-hexadecylpiperidin-2-yl]methyl butanoate Traditional Name: butyric acid [(2R,3R,4R,5S)-3,4,5-tributyryloxy-1-cetyl-2-piperidyl]methyl ester Formula: C38H69NO8 MolecularWeight: 667.95636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1CC(C(C(C1COC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1COC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC

InChI

InChI=1S/C38H69NO8/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-23-28-39-29-32(45-34(41)25-8-3)38(47-36(43)27-10-5)37(46-35(42)26-9-4)31(39)30-44-33(40)24-7-2/h31-32,37-38H,6-30H2,1-5H3/t31-,32+,37-,38-/m1/s1