2-chloroethyl 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate

Systemtic Name: 2-chloroethyl 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate Openeye Name: 2-chloroethyl 4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-piperazinecarboxylic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-benzyl)piperazine-1-carboxylic acid 2-chloroethyl ester Formula: C16H22BrClN2O4 MolecularWeight: 421.71388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCN(CC2)C(=O)OCCCl)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCN(CC2)C(=O)OCCCl)Br)OC

InChI

InChI=1S/C16H22BrClN2O4/c1-22-14-9-12(13(17)10-15(14)23-2)11-19-4-6-20(7-5-19)16(21)24-8-3-18/h9-10H,3-8,11H2,1-2H3