2-(3-chlorophenyl)ethyl 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate

Systemtic Name: 2-(3-chlorophenyl)ethyl 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate Openeye Name: 2-(3-chlorophenyl)ethyl 4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-piperazinecarboxylic acid 2-(3-chlorophenyl)ethyl ester IUPAC Name: 2-(3-chlorophenyl)ethyl 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-benzyl)piperazine-1-carboxylic acid 2-(3-chlorophenyl)ethyl ester Formula: C22H26BrClN2O4 MolecularWeight: 497.80984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCN(CC2)C(=O)OCCC3=CC(=CC=C3)Cl)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCN(CC2)C(=O)OCCC3=CC(=CC=C3)Cl)Br)OC

InChI

InChI=1S/C22H26BrClN2O4/c1-28-20-13-17(19(23)14-21(20)29-2)15-25-7-9-26(10-8-25)22(27)30-11-6-16-4-3-5-18(24)12-16/h3-5,12-14H,6-11,15H2,1-2H3