(phenylmethyl) 4-[[(3-iodanyl-4-oxidanyl-phenyl)carbonylamino]methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[(3-iodanyl-4-oxidanyl-phenyl)carbonylamino]methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[(4-hydroxy-3-iodo-benzoyl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[(4-hydroxy-3-iodophenyl)-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(4-hydroxy-3-iodobenzoyl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(4-hydroxy-3-iodo-benzoyl)amino]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C21H23IN2O4 MolecularWeight: 494.32279

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)C2=CC(=C(C=C2)O)I)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CNC(=O)C2=CC(=C(C=C2)O)I)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23IN2O4/c22-18-12-17(6-7-19(18)25)20(26)23-13-15-8-10-24(11-9-15)21(27)28-14-16-4-2-1-3-5-16/h1-7,12,15,25H,8-11,13-14H2,(H,23,26)