tert-butyl 4-(4-iodophenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-iodophenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-iodobenzoyl)piperazine-1-carboxylate CAS Name: 4-[(4-iodophenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-iodobenzoyl)piperazine-1-carboxylate Traditional Name: 4-(4-iodobenzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H21IN2O3 MolecularWeight: 416.25401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21IN2O3/c1-16(2,3)22-15(21)19-10-8-18(9-11-19)14(20)12-4-6-13(17)7-5-12/h4-7H,8-11H2,1-3H3