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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O2/c1-4-22-17(21)10-15-16(11-19)20(18(15)13(2)3)12-14-8-6-5-7-9-14/h5-9,13,15-16,18H,4,10,12H2,1-3H3/t15-,16+,18+/m1/s1