tert-butyl 4-(3-bromanyl-4-chloranyl-5-ethoxycarbonyl-phenyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-bromanyl-4-chloranyl-5-ethoxycarbonyl-phenyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-bromo-4-chloro-5-ethoxycarbonyl-phenyl)piperazine-1-carboxylate CAS Name: 4-(3-bromo-4-chloro-5-ethoxycarbonylphenyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-bromo-4-chloro-5-ethoxycarbonylphenyl)piperazine-1-carboxylate Traditional Name: 4-(3-bromo-5-carbethoxy-4-chloro-phenyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H24BrClN2O4 MolecularWeight: 447.75116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1Cl)Br)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1Cl)Br)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H24BrClN2O4/c1-5-25-16(23)13-10-12(11-14(19)15(13)20)21-6-8-22(9-7-21)17(24)26-18(2,3)4/h10-11H,5-9H2,1-4H3