tert-butyl 2-[[(1R,2S)-1-chloranyl-1-phenyl-propan-2-yl]-(cyanomethyl)amino]ethanoate

Systemtic Name: tert-butyl 2-[[(1R,2S)-1-chloranyl-1-phenyl-propan-2-yl]-(cyanomethyl)amino]ethanoate Openeye Name: tert-butyl 2-[[(1S,2R)-2-chloro-1-methyl-2-phenyl-ethyl]-(cyanomethyl)amino]acetate CAS Name: 2-[[(1R,2S)-1-chloro-1-phenylpropan-2-yl]-(cyanomethyl)amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(1R,2S)-1-chloro-1-phenylpropan-2-yl]-(cyanomethyl)amino]acetate Traditional Name: 2-[[(1S,2R)-2-chloro-1-methyl-2-phenyl-ethyl]-(cyanomethyl)amino]acetic acid tert-butyl ester Formula: C17H23ClN2O2 MolecularWeight: 322.82972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)Cl)N(CC#N)CC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)Cl)N(CC#N)CC(=O)OC(C)(C)C

InChI

InChI=1S/C17H23ClN2O2/c1-13(16(18)14-8-6-5-7-9-14)20(11-10-19)12-15(21)22-17(2,3)4/h5-9,13,16H,11-12H2,1-4H3/t13-,16-/m0/s1