[4-butanoyloxy-6-(hydroxymethyl)-5-oxidanyl-1-(2-phenylethanoyl)piperidin-3-yl] butanoate

Systemtic Name: [4-butanoyloxy-6-(hydroxymethyl)-5-oxidanyl-1-(2-phenylethanoyl)piperidin-3-yl] butanoate Openeye Name: [4-butanoyloxy-5-hydroxy-6-(hydroxymethyl)-1-(2-phenylacetyl)-3-piperidyl] butanoate CAS Name: butanoic acid [5-hydroxy-6-(hydroxymethyl)-4-(1-oxobutoxy)-1-(1-oxo-2-phenylethyl)-3-piperidinyl] ester IUPAC Name: [4-butanoyloxy-5-hydroxy-6-(hydroxymethyl)-1-(2-phenylacetyl)piperidin-3-yl] butanoate Traditional Name: butyric acid [4-butyryloxy-5-hydroxy-6-methylol-1-(2-phenylacetyl)-3-piperidyl] ester Formula: C22H31NO7 MolecularWeight: 421.48404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CN(C(C(C1OC(=O)CCC)O)CO)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)OC1CN(C(C(C1OC(=O)CCC)O)CO)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H31NO7/c1-3-8-19(26)29-17-13-23(18(25)12-15-10-6-5-7-11-15)16(14-24)21(28)22(17)30-20(27)9-4-2/h5-7,10-11,16-17,21-22,24,28H,3-4,8-9,12-14H2,1-2H3