tert-butyl 4-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[2-(3,4-dichlorobenzyl)oxyphenyl]-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C22H24Cl2N2O4 MolecularWeight: 451.34296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2=CC=CC=C2OCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2=CC=CC=C2OCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H24Cl2N2O4/c1-22(2,3)30-21(28)25-10-11-26(20(27)13-25)18-6-4-5-7-19(18)29-14-15-8-9-16(23)17(24)12-15/h4-9,12H,10-11,13-14H2,1-3H3