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

Systemtic Name: ethyl 2-[(2S,3S,4S)-2-cyano-1-(phenylmethyl)-4-propyl-azetidin-3-yl]ethanoate Openeye Name: ethyl 2-[(2S,3S,4S)-1-benzyl-2-cyano-4-propyl-azetidin-3-yl]acetate CAS Name: 2-[(2S,3S,4S)-2-cyano-1-(phenylmethyl)-4-propyl-3-azetidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S,3S,4S)-1-benzyl-2-cyano-4-propylazetidin-3-yl]acetate Traditional Name: 2-[(2S,3S,4S)-1-benzyl-2-cyano-4-propyl-azetidin-3-yl]acetic acid ethyl ester Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(N1CC2=CC=CC=C2)C#N)CC(=O)OCC

Isomeric SMILES

CCC[C@H]1[C@@H]([C@H](N1CC2=CC=CC=C2)C#N)CC(=O)OCC

InChI

InChI=1S/C18H24N2O2/c1-3-8-16-15(11-18(21)22-4-2)17(12-19)20(16)13-14-9-6-5-7-10-14/h5-7,9-10,15-17H,3-4,8,11,13H2,1-2H3/t15-,16-,17+/m0/s1