ethyl 2-[(2S,3S,4S)-2-cyano-4-methyl-1-(phenylmethyl)azetidin-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2S,3S,4S)-2-cyano-4-methyl-1-(phenylmethyl)azetidin-3-yl]ethanoate Openeye Name: ethyl 2-[(2S,3S,4S)-1-benzyl-2-cyano-4-methyl-azetidin-3-yl]acetate CAS Name: 2-[(2S,3S,4S)-2-cyano-4-methyl-1-(phenylmethyl)-3-azetidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S,3S,4S)-1-benzyl-2-cyano-4-methylazetidin-3-yl]acetate Traditional Name: 2-[(2S,3S,4S)-1-benzyl-2-cyano-4-methyl-azetidin-3-yl]acetic acid ethyl ester Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(N(C1C#N)CC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C[C@H]1[C@@H](N([C@@H]1C#N)CC2=CC=CC=C2)C

InChI

InChI=1S/C16H20N2O2/c1-3-20-16(19)9-14-12(2)18(15(14)10-17)11-13-7-5-4-6-8-13/h4-8,12,14-15H,3,9,11H2,1-2H3/t12-,14-,15+/m0/s1