tert-butyl (2R,3S)-3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)aziridine-2-carboxylate

Systemtic Name: tert-butyl (2R,3S)-3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)aziridine-2-carboxylate Openeye Name: tert-butyl (2R,3S)-3-(1,3-benzodioxol-5-yl)-1-benzyl-aziridine-2-carboxylate CAS Name: (2R,3S)-3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-2-aziridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3S)-3-(1,3-benzodioxol-5-yl)-1-benzylaziridine-2-carboxylate Traditional Name: (2R,3S)-3-(1,3-benzodioxol-5-yl)-1-benzyl-ethylenimine-2-carboxylic acid tert-butyl ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(N1CC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1[C@@H](N1CC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23NO4/c1-21(2,3)26-20(23)19-18(22(19)12-14-7-5-4-6-8-14)15-9-10-16-17(11-15)25-13-24-16/h4-11,18-19H,12-13H2,1-3H3/t18-,19+,22?/m0/s1