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

Systemtic Name: [(4R,5S)-3-butyl-2-oxidanylidene-4-(phenylmethyl)-1,3-oxazolidin-5-yl]methyl octanoate Openeye Name: [(4R,5S)-4-benzyl-3-butyl-2-oxo-oxazolidin-5-yl]methyl octanoate CAS Name: octanoic acid [(4R,5S)-3-butyl-2-oxo-4-(phenylmethyl)-5-oxazolidinyl]methyl ester IUPAC Name: [(4R,5S)-4-benzyl-3-butyl-2-oxo-1,3-oxazolidin-5-yl]methyl octanoate Traditional Name: caprylic acid [(4R,5S)-4-benzyl-3-butyl-2-keto-oxazolidin-5-yl]methyl ester Formula: C23H35NO4 MolecularWeight: 389.5283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1C(N(C(=O)O1)CCCC)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)OC[C@@H]1[C@H](N(C(=O)O1)CCCC)CC2=CC=CC=C2

InChI

InChI=1S/C23H35NO4/c1-3-5-7-8-12-15-22(25)27-18-21-20(17-19-13-10-9-11-14-19)24(16-6-4-2)23(26)28-21/h9-11,13-14,20-21H,3-8,12,15-18H2,1-2H3/t20-,21-/m1/s1