[(4R,5S)-3-butyl-2-oxidanylidene-4-(3-phenylpropyl)-1,3-oxazolidin-5-yl]methyl octanoate

Systemtic Name: [(4R,5S)-3-butyl-2-oxidanylidene-4-(3-phenylpropyl)-1,3-oxazolidin-5-yl]methyl octanoate Openeye Name: [(4R,5S)-3-butyl-2-oxo-4-(3-phenylpropyl)oxazolidin-5-yl]methyl octanoate CAS Name: octanoic acid [(4R,5S)-3-butyl-2-oxo-4-(3-phenylpropyl)-5-oxazolidinyl]methyl ester IUPAC Name: [(4R,5S)-3-butyl-2-oxo-4-(3-phenylpropyl)-1,3-oxazolidin-5-yl]methyl octanoate Traditional Name: caprylic acid [(4R,5S)-3-butyl-2-keto-4-(3-phenylpropyl)oxazolidin-5-yl]methyl ester Formula: C25H39NO4 MolecularWeight: 417.58146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1C(N(C(=O)O1)CCCC)CCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)OC[C@@H]1[C@H](N(C(=O)O1)CCCC)CCCC2=CC=CC=C2

InChI

InChI=1S/C25H39NO4/c1-3-5-7-8-12-18-24(27)29-20-23-22(26(19-6-4-2)25(28)30-23)17-13-16-21-14-10-9-11-15-21/h9-11,14-15,22-23H,3-8,12-13,16-20H2,1-2H3/t22-,23-/m1/s1