ethyl (2S,3R)-1-hexyl-3-(4-methoxyphenyl)aziridine-2-carboxylate

Systemtic Name: ethyl (2S,3R)-1-hexyl-3-(4-methoxyphenyl)aziridine-2-carboxylate Openeye Name: ethyl (2S,3R)-1-hexyl-3-(4-methoxyphenyl)aziridine-2-carboxylate CAS Name: (2S,3R)-1-hexyl-3-(4-methoxyphenyl)-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R)-1-hexyl-3-(4-methoxyphenyl)aziridine-2-carboxylate Traditional Name: (2S,3R)-1-hexyl-3-(4-methoxyphenyl)ethylenimine-2-carboxylic acid ethyl ester Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3/c1-4-6-7-8-13-19-16(17(19)18(20)22-5-2)14-9-11-15(21-3)12-10-14/h9-12,16-17H,4-8,13H2,1-3H3/t16-,17+,19?/m1/s1