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

Systemtic Name: 2-cyclohexylpropyl 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate Openeye Name: 2-cyclohexylpropyl 4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-piperazinecarboxylic acid 2-cyclohexylpropyl ester IUPAC Name: 2-cyclohexylpropyl 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-benzyl)piperazine-1-carboxylic acid 2-cyclohexylpropyl ester Formula: C23H35BrN2O4 MolecularWeight: 483.439

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)N1CCN(CC1)CC2=CC(=C(C=C2Br)OC)OC)C3CCCCC3

Isomeric SMILES

CC(COC(=O)N1CCN(CC1)CC2=CC(=C(C=C2Br)OC)OC)C3CCCCC3

InChI

InChI=1S/C23H35BrN2O4/c1-17(18-7-5-4-6-8-18)16-30-23(27)26-11-9-25(10-12-26)15-19-13-21(28-2)22(29-3)14-20(19)24/h13-14,17-18H,4-12,15-16H2,1-3H3