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

Systemtic Name: methyl 8-[(2S,3R)-1-(2-cyanoethyl)-3-octyl-aziridin-2-yl]octanoate Openeye Name: methyl 8-[(2S,3R)-1-(2-cyanoethyl)-3-octyl-aziridin-2-yl]octanoate CAS Name: 8-[(2S,3R)-1-(2-cyanoethyl)-3-octyl-2-aziridinyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(2S,3R)-1-(2-cyanoethyl)-3-octylaziridin-2-yl]octanoate Traditional Name: 8-[(2S,3R)-1-(2-cyanoethyl)-3-octyl-ethylenimin-2-yl]caprylic acid methyl ester Formula: C22H40N2O2 MolecularWeight: 364.5652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(N1CCC#N)CCCCCCCC(=O)OC

Isomeric SMILES

CCCCCCCC[C@@H]1[C@@H](N1CCC#N)CCCCCCCC(=O)OC

InChI

InChI=1S/C22H40N2O2/c1-3-4-5-6-8-11-15-20-21(24(20)19-14-18-23)16-12-9-7-10-13-17-22(25)26-2/h20-21H,3-17,19H2,1-2H3/t20-,21+,24?/m1/s1