3-(2-methyl-2-oxidanyl-propyl)-4-(oxidanylideneboranylmethyl)-1-(phenylmethyl)piperazine-2,5-dione

Systemtic Name: 3-(2-methyl-2-oxidanyl-propyl)-4-(oxidanylideneboranylmethyl)-1-(phenylmethyl)piperazine-2,5-dione Openeye Name: 1-benzyl-3-(2-hydroxy-2-methyl-propyl)-4-(oxoboranylmethyl)piperazine-2,5-dione CAS Name: 3-(2-hydroxy-2-methylpropyl)-4-(oxoboranylmethyl)-1-(phenylmethyl)piperazine-2,5-dione IUPAC Name: 1-benzyl-3-(2-hydroxy-2-methylpropyl)-4-(oxoboranylmethyl)piperazine-2,5-dione Traditional Name: 1-benzyl-3-(2-hydroxy-2-methyl-propyl)-4-(ketoboranylmethyl)piperazine-2,5-quinone Formula: C16H21BN2O4 MolecularWeight: 316.15994

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Descriptors Computed from Structure

Canonical SMILES:

B(=O)CN1C(C(=O)N(CC1=O)CC2=CC=CC=C2)CC(C)(C)O

Isomeric SMILES

B(=O)CN1C(C(=O)N(CC1=O)CC2=CC=CC=C2)CC(C)(C)O

InChI

InChI=1S/C16H21BN2O4/c1-16(2,22)8-13-15(21)18(9-12-6-4-3-5-7-12)10-14(20)19(13)11-17-23/h3-7,13,22H,8-11H2,1-2H3