methyl (E)-5-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)aziridin-1-yl]pent-2-enoate

Systemtic Name: methyl (E)-5-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)aziridin-1-yl]pent-2-enoate Openeye Name: methyl (E)-5-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)aziridin-1-yl]pent-2-enoate CAS Name: (E)-5-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)-1-aziridinyl]-2-pentenoic acid methyl ester IUPAC Name: methyl (E)-5-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)aziridin-1-yl]pent-2-enoate Traditional Name: (E)-5-[(2R,3S)-2-tert-butyl-3-methylol-ethylenimin-1-yl]pent-2-enoic acid methyl ester Formula: C13H23NO3 MolecularWeight: 241.32662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(N1CCC=CC(=O)OC)CO

Isomeric SMILES

CC(C)(C)[C@@H]1[C@H](N1CC/C=C/C(=O)OC)CO

InChI

InChI=1S/C13H23NO3/c1-13(2,3)12-10(9-15)14(12)8-6-5-7-11(16)17-4/h5,7,10,12,15H,6,8-9H2,1-4H3/b7-5+/t10-,12+,14?/m1/s1