cyclohexyl (2S,3R)-1-(4-methoxyphenyl)-3-(trifluoromethyl)aziridine-2-carboxylate

Systemtic Name: cyclohexyl (2S,3R)-1-(4-methoxyphenyl)-3-(trifluoromethyl)aziridine-2-carboxylate Openeye Name: cyclohexyl (2S,3R)-1-(4-methoxyphenyl)-3-(trifluoromethyl)aziridine-2-carboxylate CAS Name: (2S,3R)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-2-aziridinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (2S,3R)-1-(4-methoxyphenyl)-3-(trifluoromethyl)aziridine-2-carboxylate Traditional Name: (2S,3R)-1-(4-methoxyphenyl)-3-(trifluoromethyl)ethylenimine-2-carboxylic acid cyclohexyl ester Formula: C17H20F3NO3 MolecularWeight: 343.34081

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C2C(F)(F)F)C(=O)OC3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)N2[C@@H]([C@@H]2C(F)(F)F)C(=O)OC3CCCCC3

InChI

InChI=1S/C17H20F3NO3/c1-23-12-9-7-11(8-10-12)21-14(15(21)17(18,19)20)16(22)24-13-5-3-2-4-6-13/h7-10,13-15H,2-6H2,1H3/t14-,15+,21?/m0/s1