2-[[3-[4-(oxidanylideneboranylmethyl)piperazin-1-yl]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-[4-(oxidanylideneboranylmethyl)piperazin-1-yl]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-[4-(oxoboranylmethyl)piperazin-1-yl]benzoyl]amino]acetic acid CAS Name: 2-[[oxo-[3-[4-(oxoboranylmethyl)-1-piperazinyl]phenyl]methyl]amino]acetic acid IUPAC Name: 2-[[3-[4-(oxoboranylmethyl)piperazin-1-yl]benzoyl]amino]acetic acid Traditional Name: 2-[[3-[4-(ketoboranylmethyl)piperazino]benzoyl]amino]acetic acid Formula: C14H18BN3O4 MolecularWeight: 303.12142

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Descriptors Computed from Structure

Canonical SMILES:

B(=O)CN1CCN(CC1)C2=CC=CC(=C2)C(=O)NCC(=O)O

Isomeric SMILES

B(=O)CN1CCN(CC1)C2=CC=CC(=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C14H18BN3O4/c19-13(20)9-16-14(21)11-2-1-3-12(8-11)18-6-4-17(5-7-18)10-15-22/h1-3,8H,4-7,9-10H2,(H,16,21)(H,19,20)