methyl 2-[(3-cyanophenyl)methyl]-3-(oxidanylideneboranylmethylamino)butanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-(oxidanylideneboranylmethylamino)butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-(oxoboranylmethylamino)butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-(oxoboranylmethylamino)butanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-(oxoboranylmethylamino)butanoate Traditional Name: 2-(3-cyanobenzyl)-3-(ketoboranylmethylamino)butyric acid methyl ester Formula: C14H17BN2O3 MolecularWeight: 272.10738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BN2O3/c1-10(17-9-15-19)13(14(18)20-2)7-11-4-3-5-12(6-11)8-16/h3-6,10,13,17H,7,9H2,1-2H3