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

Systemtic Name: 2-chloranylpropyl 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate Openeye Name: 2-chloropropyl 4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-piperazinecarboxylic acid 2-chloropropyl ester IUPAC Name: 2-chloropropyl 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-benzyl)piperazine-1-carboxylic acid 2-chloropropyl ester Formula: C17H24BrClN2O4 MolecularWeight: 435.74046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrClN2O4/c1-12(19)11-25-17(22)21-6-4-20(5-7-21)10-13-8-15(23-2)16(24-3)9-14(13)18/h8-9,12H,4-7,10-11H2,1-3H3