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

Systemtic Name: 6-chloranylhexyl 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate Openeye Name: 6-chlorohexyl 4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-piperazinecarboxylic acid 6-chlorohexyl ester IUPAC Name: 6-chlorohexyl 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-benzyl)piperazine-1-carboxylic acid 6-chlorohexyl ester Formula: C20H30BrClN2O4 MolecularWeight: 477.8202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30BrClN2O4/c1-26-18-13-16(17(21)14-19(18)27-2)15-23-8-10-24(11-9-23)20(25)28-12-6-4-3-5-7-22/h13-14H,3-12,15H2,1-2H3