methyl 8-[(2S,3R)-1-ethanoyl-3-octyl-aziridin-2-yl]octanoate

Systemtic Name: methyl 8-[(2S,3R)-1-ethanoyl-3-octyl-aziridin-2-yl]octanoate Openeye Name: methyl 8-[(2S,3R)-1-acetyl-3-octyl-aziridin-2-yl]octanoate CAS Name: 8-[(2S,3R)-1-acetyl-3-octyl-2-aziridinyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(2S,3R)-1-acetyl-3-octylaziridin-2-yl]octanoate Traditional Name: 8-[(2S,3R)-1-acetyl-3-octyl-ethylenimin-2-yl]caprylic acid methyl ester Formula: C21H39NO3 MolecularWeight: 353.53926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(N1C(=O)C)CCCCCCCC(=O)OC

Isomeric SMILES

CCCCCCCC[C@@H]1[C@@H](N1C(=O)C)CCCCCCCC(=O)OC

InChI

InChI=1S/C21H39NO3/c1-4-5-6-7-9-12-15-19-20(22(19)18(2)23)16-13-10-8-11-14-17-21(24)25-3/h19-20H,4-17H2,1-3H3/t19-,20+,22?/m1/s1