[4-(6,6-diphenylhexanoyl)piperazin-1-yl]-methyl-borinic acid

Systemtic Name: [4-(6,6-diphenylhexanoyl)piperazin-1-yl]-methyl-borinic acid Openeye Name: [4-(6,6-diphenylhexanoyl)piperazin-1-yl]-methyl-borinic acid CAS Name: methyl-[4-(1-oxo-6,6-diphenylhexyl)-1-piperazinyl]borinic acid IUPAC Name: [4-(6,6-diphenylhexanoyl)piperazin-1-yl]-methylborinic acid Traditional Name: [4-(6,6-diphenylhexanoyl)piperazino]-methyl-borinic acid Formula: C23H31BN2O2 MolecularWeight: 378.31544

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCN(CC1)C(=O)CCCCC(C2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

B(C)(N1CCN(CC1)C(=O)CCCCC(C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C23H31BN2O2/c1-24(28)26-18-16-25(17-19-26)23(27)15-9-8-14-22(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-13,22,28H,8-9,14-19H2,1H3