4-[(4R,6R)-6-pentyl-2-phenyl-1,3,2-dioxaborinan-4-yl]benzenecarbonitrile

Systemtic Name: 4-[(4R,6R)-6-pentyl-2-phenyl-1,3,2-dioxaborinan-4-yl]benzenecarbonitrile Openeye Name: 4-[(4R,6R)-6-pentyl-2-phenyl-1,3,2-dioxaborinan-4-yl]benzonitrile CAS Name: 4-[(4R,6R)-6-pentyl-2-phenyl-1,3,2-dioxaborinan-4-yl]benzonitrile IUPAC Name: 4-[(4R,6R)-6-pentyl-2-phenyl-1,3,2-dioxaborinan-4-yl]benzonitrile Traditional Name: 4-[(4R,6R)-6-amyl-2-phenyl-1,3,2-dioxaborinan-4-yl]benzonitrile Formula: C21H24BNO2 MolecularWeight: 333.23176

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC(CC(O1)C2=CC=C(C=C2)C#N)CCCCC)C3=CC=CC=C3

Isomeric SMILES

B1(O[C@@H](C[C@@H](O1)C2=CC=C(C=C2)C#N)CCCCC)C3=CC=CC=C3

InChI

InChI=1S/C21H24BNO2/c1-2-3-5-10-20-15-21(18-13-11-17(16-23)12-14-18)25-22(24-20)19-8-6-4-7-9-19/h4,6-9,11-14,20-21H,2-3,5,10,15H2,1H3/t20-,21-/m1/s1