tert-butyl 2-[6-(cyanomethyl)-2-phenyl-1,3,2-dioxaborinan-4-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-(cyanomethyl)-2-phenyl-1,3,2-dioxaborinan-4-yl]ethanoate Openeye Name: tert-butyl 2-[6-(cyanomethyl)-2-phenyl-1,3,2-dioxaborinan-4-yl]acetate CAS Name: 2-[6-(cyanomethyl)-2-phenyl-1,3,2-dioxaborinan-4-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-(cyanomethyl)-2-phenyl-1,3,2-dioxaborinan-4-yl]acetate Traditional Name: 2-[6-(cyanomethyl)-2-phenyl-1,3,2-dioxaborinan-4-yl]acetic acid tert-butyl ester Formula: C17H22BNO4 MolecularWeight: 315.17188

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC(CC(O1)CC(=O)OC(C)(C)C)CC#N)C2=CC=CC=C2

Isomeric SMILES

B1(OC(CC(O1)CC(=O)OC(C)(C)C)CC#N)C2=CC=CC=C2

InChI

InChI=1S/C17H22BNO4/c1-17(2,3)21-16(20)12-15-11-14(9-10-19)22-18(23-15)13-7-5-4-6-8-13/h4-8,14-15H,9,11-12H2,1-3H3