ethyl (2R,3S)-3-(4-cyanophenyl)-2-pentyl-oxirane-2-carboxylate

Systemtic Name: ethyl (2R,3S)-3-(4-cyanophenyl)-2-pentyl-oxirane-2-carboxylate Openeye Name: ethyl (2R,3S)-3-(4-cyanophenyl)-2-pentyl-oxirane-2-carboxylate CAS Name: (2R,3S)-3-(4-cyanophenyl)-2-pentyl-2-oxiranecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-(4-cyanophenyl)-2-pentyloxirane-2-carboxylate Traditional Name: (2R,3S)-2-amyl-3-(4-cyanophenyl)oxirane-2-carboxylic acid ethyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C(O1)C2=CC=C(C=C2)C#N)C(=O)OCC

Isomeric SMILES

CCCCC[C@@]1([C@@H](O1)C2=CC=C(C=C2)C#N)C(=O)OCC

InChI

InChI=1S/C17H21NO3/c1-3-5-6-11-17(16(19)20-4-2)15(21-17)14-9-7-13(12-18)8-10-14/h7-10,15H,3-6,11H2,1-2H3/t15-,17+/m0/s1