tert-butyl 4-[3-(chloromethyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(chloromethyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(chloromethyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-(chloromethyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(chloromethyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(chloromethyl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H23ClN2O3 MolecularWeight: 338.82912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O3/c1-17(2,3)23-16(22)20-9-7-19(8-10-20)15(21)14-6-4-5-13(11-14)12-18/h4-6,11H,7-10,12H2,1-3H3