tert-butyl 2-[(2R,3S)-2-(hydroxymethyl)-3-(phenylmethoxymethyl)aziridin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[(2R,3S)-2-(hydroxymethyl)-3-(phenylmethoxymethyl)aziridin-1-yl]ethanoate Openeye Name: tert-butyl 2-[(2S,3R)-2-(benzyloxymethyl)-3-(hydroxymethyl)aziridin-1-yl]acetate CAS Name: 2-[(2R,3S)-2-(hydroxymethyl)-3-(phenylmethoxymethyl)-1-aziridinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2R,3S)-2-(hydroxymethyl)-3-(phenylmethoxymethyl)aziridin-1-yl]acetate Traditional Name: 2-[(2S,3R)-2-(benzoxymethyl)-3-methylol-ethylenimin-1-yl]acetic acid tert-butyl ester Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(C1COCC2=CC=CC=C2)CO

Isomeric SMILES

CC(C)(C)OC(=O)CN1[C@H]([C@H]1COCC2=CC=CC=C2)CO

InChI

InChI=1S/C17H25NO4/c1-17(2,3)22-16(20)9-18-14(10-19)15(18)12-21-11-13-7-5-4-6-8-13/h4-8,14-15,19H,9-12H2,1-3H3/t14-,15+,18?/m0/s1