methyl 2-[(3-cyanophenyl)methyl]-3-(oxidanylideneboranylmethylamino)-5-phenyl-pentanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-(oxidanylideneboranylmethylamino)-5-phenyl-pentanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-(oxoboranylmethylamino)-5-phenyl-pentanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-(oxoboranylmethylamino)-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-(oxoboranylmethylamino)-5-phenylpentanoate Traditional Name: 2-(3-cyanobenzyl)-3-(ketoboranylmethylamino)-5-phenyl-valeric acid methyl ester Formula: C21H23BN2O3 MolecularWeight: 362.22992

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Descriptors Computed from Structure

Canonical SMILES:

B(=O)CNC(CCC1=CC=CC=C1)C(CC2=CC=CC(=C2)C#N)C(=O)OC

Isomeric SMILES

B(=O)CNC(CCC1=CC=CC=C1)C(CC2=CC=CC(=C2)C#N)C(=O)OC

InChI

InChI=1S/C21H23BN2O3/c1-27-21(25)19(13-17-8-5-9-18(12-17)14-23)20(24-15-22-26)11-10-16-6-3-2-4-7-16/h2-9,12,19-20,24H,10-11,13,15H2,1H3