tert-butyl 4-(5-chloranyl-4-iodanyl-2-methoxy-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-chloranyl-4-iodanyl-2-methoxy-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-chloro-4-iodo-2-methoxy-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(5-chloro-4-iodo-2-methoxyphenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-chloro-4-iodo-2-methoxybenzoyl)piperazine-1-carboxylate Traditional Name: 4-(5-chloro-4-iodo-2-methoxy-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C17H22ClIN2O4 MolecularWeight: 480.72505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2OC)I)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2OC)I)Cl

InChI

InChI=1S/C17H22ClIN2O4/c1-17(2,3)25-16(23)21-7-5-20(6-8-21)15(22)11-9-12(18)13(19)10-14(11)24-4/h9-10H,5-8H2,1-4H3