ethyl (2S,3R)-1-hexyl-3-phenyl-aziridine-2-carboxylate

Systemtic Name: ethyl (2S,3R)-1-hexyl-3-phenyl-aziridine-2-carboxylate Openeye Name: ethyl (2S,3R)-1-hexyl-3-phenyl-aziridine-2-carboxylate CAS Name: (2S,3R)-1-hexyl-3-phenyl-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R)-1-hexyl-3-phenylaziridine-2-carboxylate Traditional Name: (2S,3R)-1-hexyl-3-phenyl-ethylenimine-2-carboxylic acid ethyl ester Formula: C17H25NO2 MolecularWeight: 275.3859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(C1C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCN1[C@@H]([C@H]1C(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C17H25NO2/c1-3-5-6-10-13-18-15(14-11-8-7-9-12-14)16(18)17(19)20-4-2/h7-9,11-12,15-16H,3-6,10,13H2,1-2H3/t15-,16+,18?/m1/s1