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

Systemtic Name: 6-(dimethylamino)hexyl 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate Openeye Name: 6-(dimethylamino)hexyl 4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-piperazinecarboxylic acid 6-(dimethylamino)hexyl ester IUPAC Name: 6-(dimethylamino)hexyl 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-benzyl)piperazine-1-carboxylic acid 6-(dimethylamino)hexyl ester Formula: C22H36BrN3O4 MolecularWeight: 486.44294

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCCCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CN(C)CCCCCCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C22H36BrN3O4/c1-24(2)9-7-5-6-8-14-30-22(27)26-12-10-25(11-13-26)17-18-15-20(28-3)21(29-4)16-19(18)23/h15-16H,5-14,17H2,1-4H3