(phenylmethyl) 4-[(2-iodanylethanoylamino)methyl]-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(2-iodanylethanoylamino)methyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: benzyl 4-hydroxy-4-[[(2-iodoacetyl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-hydroxy-4-[[(2-iodo-1-oxoethyl)amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-hydroxy-4-[[(2-iodoacetyl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-hydroxy-4-[[(2-iodoacetyl)amino]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C16H21IN2O4 MolecularWeight: 432.25341

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNC(=O)CI)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1(CNC(=O)CI)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H21IN2O4/c17-10-14(20)18-12-16(22)6-8-19(9-7-16)15(21)23-11-13-4-2-1-3-5-13/h1-5,22H,6-12H2,(H,18,20)