(phenylmethyl) (2R)-4-(5-chloranyl-2-iodanyl-phenyl)-2-methyl-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R)-4-(5-chloranyl-2-iodanyl-phenyl)-2-methyl-piperazine-1-carboxylate Openeye Name: benzyl (2R)-4-(5-chloro-2-iodo-phenyl)-2-methyl-piperazine-1-carboxylate CAS Name: (2R)-4-(5-chloro-2-iodophenyl)-2-methyl-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-4-(5-chloro-2-iodophenyl)-2-methylpiperazine-1-carboxylate Traditional Name: (2R)-4-(5-chloro-2-iodo-phenyl)-2-methyl-piperazine-1-carboxylic acid benzyl ester Formula: C19H20ClIN2O2 MolecularWeight: 470.73177

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=C(C=CC(=C3)Cl)I

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=C(C=CC(=C3)Cl)I

InChI

InChI=1S/C19H20ClIN2O2/c1-14-12-22(18-11-16(20)7-8-17(18)21)9-10-23(14)19(24)25-13-15-5-3-2-4-6-15/h2-8,11,14H,9-10,12-13H2,1H3/t14-/m1/s1