tert-butyl (2S,3R)-2-hexyl-3-[(phenylmethyl)carbamoyl]aziridine-1-carboxylate

Systemtic Name: tert-butyl (2S,3R)-2-hexyl-3-[(phenylmethyl)carbamoyl]aziridine-1-carboxylate Openeye Name: tert-butyl (2R,3S)-2-(benzylcarbamoyl)-3-hexyl-aziridine-1-carboxylate CAS Name: (2S,3R)-2-hexyl-3-[oxo-[(phenylmethyl)amino]methyl]-1-aziridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3S)-2-(benzylcarbamoyl)-3-hexylaziridine-1-carboxylate Traditional Name: (2R,3S)-2-(benzylcarbamoyl)-3-hexyl-ethylenimine-1-carboxylic acid tert-butyl ester Formula: C21H32N2O3 MolecularWeight: 360.49038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(N1C(=O)OC(C)(C)C)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCCCCC[C@H]1[C@@H](N1C(=O)OC(C)(C)C)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H32N2O3/c1-5-6-7-11-14-17-18(23(17)20(25)26-21(2,3)4)19(24)22-15-16-12-9-8-10-13-16/h8-10,12-13,17-18H,5-7,11,14-15H2,1-4H3,(H,22,24)/t17-,18+,23?/m0/s1