ethyl (2S)-2-cyano-2-[(1S,3R)-2,2-dicyano-4,4-dimethyl-3-propan-2-yl-cyclobutyl]ethanoate

Systemtic Name: ethyl (2S)-2-cyano-2-[(1S,3R)-2,2-dicyano-4,4-dimethyl-3-propan-2-yl-cyclobutyl]ethanoate Openeye Name: ethyl (2S)-2-cyano-2-[(1S,3R)-2,2-dicyano-3-isopropyl-4,4-dimethyl-cyclobutyl]acetate CAS Name: (2S)-2-cyano-2-[(1S,3R)-2,2-dicyano-4,4-dimethyl-3-propan-2-ylcyclobutyl]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-2-[(1S,3R)-2,2-dicyano-4,4-dimethyl-3-propan-2-ylcyclobutyl]acetate Traditional Name: (2S)-2-cyano-2-[(1S,3R)-2,2-dicyano-3-isopropyl-4,4-dimethyl-cyclobutyl]acetic acid ethyl ester Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1C(C(C1(C#N)C#N)C(C)C)(C)C

Isomeric SMILES

CCOC(=O)[C@H](C#N)[C@H]1C([C@H](C1(C#N)C#N)C(C)C)(C)C

InChI

InChI=1S/C16H21N3O2/c1-6-21-14(20)11(7-17)13-15(4,5)12(10(2)3)16(13,8-18)9-19/h10-13H,6H2,1-5H3/t11-,12-,13+/m1/s1