[4-[2-(1-acetamidoethyl)-4-chloranyl-phenyl]piperidin-1-yl]-methyl-borinic acid

Systemtic Name: [4-[2-(1-acetamidoethyl)-4-chloranyl-phenyl]piperidin-1-yl]-methyl-borinic acid Openeye Name: [4-[2-(1-acetamidoethyl)-4-chloro-phenyl]-1-piperidyl]-methyl-borinic acid CAS Name: [4-[2-(1-acetamidoethyl)-4-chlorophenyl]-1-piperidinyl]-methylborinic acid IUPAC Name: [4-[2-(1-acetamidoethyl)-4-chlorophenyl]piperidin-1-yl]-methylborinic acid Traditional Name: [4-[2-(1-acetamidoethyl)-4-chloro-phenyl]piperidino]-methyl-borinic acid Formula: C16H24BClN2O2 MolecularWeight: 322.63796

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCC(CC1)C2=C(C=C(C=C2)Cl)C(C)NC(=O)C)O

Isomeric SMILES

B(C)(N1CCC(CC1)C2=C(C=C(C=C2)Cl)C(C)NC(=O)C)O

InChI

InChI=1S/C16H24BClN2O2/c1-11(19-12(2)21)16-10-14(18)4-5-15(16)13-6-8-20(9-7-13)17(3)22/h4-5,10-11,13,22H,6-9H2,1-3H3,(H,19,21)