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

Systemtic Name: methyl 8-[(2S,3R)-3-octyl-1-(phenylmethyl)aziridin-2-yl]octanoate Openeye Name: methyl 8-[(2S,3R)-1-benzyl-3-octyl-aziridin-2-yl]octanoate CAS Name: 8-[(2S,3R)-3-octyl-1-(phenylmethyl)-2-aziridinyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(2S,3R)-1-benzyl-3-octylaziridin-2-yl]octanoate Traditional Name: 8-[(2S,3R)-1-benzyl-3-octyl-ethylenimin-2-yl]caprylic acid methyl ester Formula: C26H43NO2 MolecularWeight: 401.62512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(N1CC2=CC=CC=C2)CCCCCCCC(=O)OC

Isomeric SMILES

CCCCCCCC[C@@H]1[C@@H](N1CC2=CC=CC=C2)CCCCCCCC(=O)OC

InChI

InChI=1S/C26H43NO2/c1-3-4-5-6-8-14-19-24-25(27(24)22-23-17-12-11-13-18-23)20-15-9-7-10-16-21-26(28)29-2/h11-13,17-18,24-25H,3-10,14-16,19-22H2,1-2H3/t24-,25+,27?/m1/s1