(2S,4R)-4-methyl-2-[[(1R)-2-oxidanyl-1-phenyl-ethyl]amino]octanenitrile

Systemtic Name: (2S,4R)-4-methyl-2-[[(1R)-2-oxidanyl-1-phenyl-ethyl]amino]octanenitrile Openeye Name: (2S,4R)-2-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]-4-methyl-octanenitrile CAS Name: (2S,4R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methyloctanenitrile IUPAC Name: (2S,4R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methyloctanenitrile Traditional Name: (2S,4R)-2-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]-4-methyl-caprylonitrile Formula: C17H26N2O MolecularWeight: 274.40114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC(C#N)NC(CO)C1=CC=CC=C1

Isomeric SMILES

CCCC[C@@H](C)C[C@@H](C#N)N[C@@H](CO)C1=CC=CC=C1

InChI

InChI=1S/C17H26N2O/c1-3-4-8-14(2)11-16(12-18)19-17(13-20)15-9-6-5-7-10-15/h5-7,9-10,14,16-17,19-20H,3-4,8,11,13H2,1-2H3/t14-,16+,17+/m1/s1