tert-butyl (2S,3R)-2-butyl-3-(phenacylcarbamoyl)aziridine-1-carboxylate

Systemtic Name: tert-butyl (2S,3R)-2-butyl-3-(phenacylcarbamoyl)aziridine-1-carboxylate Openeye Name: tert-butyl (2S,3R)-2-butyl-3-(phenacylcarbamoyl)aziridine-1-carboxylate CAS Name: (2S,3R)-2-butyl-3-[oxo-(phenacylamino)methyl]-1-aziridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-2-butyl-3-(phenacylcarbamoyl)aziridine-1-carboxylate Traditional Name: (2S,3R)-2-butyl-3-(phenacylcarbamoyl)ethylenimine-1-carboxylic acid tert-butyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(N1C(=O)OC(C)(C)C)C(=O)NCC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC[C@H]1[C@@H](N1C(=O)OC(C)(C)C)C(=O)NCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H28N2O4/c1-5-6-12-15-17(22(15)19(25)26-20(2,3)4)18(24)21-13-16(23)14-10-8-7-9-11-14/h7-11,15,17H,5-6,12-13H2,1-4H3,(H,21,24)/t15-,17+,22?/m0/s1