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

Systemtic Name: [(1R,3R,5S)-1-bromanyl-5-[cyano(methyl)amino]-1-phenyl-hexan-3-yl] ethanoate Openeye Name: [(1R,3S)-1-[(2R)-2-bromo-2-phenyl-ethyl]-3-[cyano(methyl)amino]butyl] acetate CAS Name: acetic acid [(1R,3R,5S)-1-bromo-5-[cyano(methyl)amino]-1-phenylhexan-3-yl] ester IUPAC Name: [(1R,3R,5S)-1-bromo-5-[cyano(methyl)amino]-1-phenylhexan-3-yl] acetate Traditional Name: acetic acid [(1R,3S)-1-[(2R)-2-bromo-2-phenyl-ethyl]-3-[cyano(methyl)amino]butyl] ester Formula: C16H21BrN2O2 MolecularWeight: 353.25414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN2O2/c1-12(19(3)11-18)9-15(21-13(2)20)10-16(17)14-7-5-4-6-8-14/h4-8,12,15-16H,9-10H2,1-3H3/t12-,15+,16+/m0/s1