[(3S,5S)-5-[cyano(methyl)amino]-1-phenyl-hexan-3-yl] ethanoate

Systemtic Name: [(3S,5S)-5-[cyano(methyl)amino]-1-phenyl-hexan-3-yl] ethanoate Openeye Name: [(1S,3S)-3-[cyano(methyl)amino]-1-phenethyl-butyl] acetate CAS Name: acetic acid [(3S,5S)-5-[cyano(methyl)amino]-1-phenylhexan-3-yl] ester IUPAC Name: [(3S,5S)-5-[cyano(methyl)amino]-1-phenylhexan-3-yl] acetate Traditional Name: acetic acid [(1S,3S)-3-[cyano(methyl)amino]-1-phenethyl-butyl] ester Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CCC1=CC=CC=C1)OC(=O)C)N(C)C#N

Isomeric SMILES

C[C@@H](C[C@H](CCC1=CC=CC=C1)OC(=O)C)N(C)C#N

InChI

InChI=1S/C16H22N2O2/c1-13(18(3)12-17)11-16(20-14(2)19)10-9-15-7-5-4-6-8-15/h4-8,13,16H,9-11H2,1-3H3/t13-,16-/m0/s1