5,5-dimethyl-6-[[2-oxidanyl-3-(oxidanylideneboranylmethylamino)-4-phenyl-butyl]amino]hexanenitrile

Systemtic Name: 5,5-dimethyl-6-[[2-oxidanyl-3-(oxidanylideneboranylmethylamino)-4-phenyl-butyl]amino]hexanenitrile Openeye Name: 6-[[2-hydroxy-3-(oxoboranylmethylamino)-4-phenyl-butyl]amino]-5,5-dimethyl-hexanenitrile CAS Name: 6-[[2-hydroxy-3-(oxoboranylmethylamino)-4-phenylbutyl]amino]-5,5-dimethylhexanenitrile IUPAC Name: 6-[[2-hydroxy-3-(oxoboranylmethylamino)-4-phenylbutyl]amino]-5,5-dimethylhexanenitrile Traditional Name: 6-[[2-hydroxy-3-(ketoboranylmethylamino)-4-phenyl-butyl]amino]-5,5-dimethyl-hexanenitrile Formula: C19H30BN3O2 MolecularWeight: 343.2714

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Descriptors Computed from Structure

Canonical SMILES:

B(=O)CNC(CC1=CC=CC=C1)C(CNCC(C)(C)CCCC#N)O

Isomeric SMILES

B(=O)CNC(CC1=CC=CC=C1)C(CNCC(C)(C)CCCC#N)O

InChI

InChI=1S/C19H30BN3O2/c1-19(2,10-6-7-11-21)14-22-13-18(24)17(23-15-20-25)12-16-8-4-3-5-9-16/h3-5,8-9,17-18,22-24H,6-7,10,12-15H2,1-2H3