(4-cyanophenyl) 4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoate

Systemtic Name: (4-cyanophenyl) 4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoate Openeye Name: (4-cyanophenyl) 4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoate CAS Name: 4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoate Traditional Name: 4-(5-amyl-1,3,2-dioxaborinan-2-yl)benzoic acid (4-cyanophenyl) ester Formula: C22H24BNO4 MolecularWeight: 377.24126

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(CO1)CCCCC)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

B1(OCC(CO1)CCCCC)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24BNO4/c1-2-3-4-5-18-15-26-23(27-16-18)20-10-8-19(9-11-20)22(25)28-21-12-6-17(14-24)7-13-21/h6-13,18H,2-5,15-16H2,1H3