(3-bromophenyl)methyl 4-[(2,4,6-trimethoxyphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: (3-bromophenyl)methyl 4-[(2,4,6-trimethoxyphenyl)methyl]piperazine-1-carboxylate Openeye Name: (3-bromophenyl)methyl 4-[(2,4,6-trimethoxyphenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2,4,6-trimethoxyphenyl)methyl]-1-piperazinecarboxylic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 4-[(2,4,6-trimethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(2,4,6-trimethoxybenzyl)piperazine-1-carboxylic acid (3-bromobenzyl) ester Formula: C22H27BrN2O5 MolecularWeight: 479.36418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)CN2CCN(CC2)C(=O)OCC3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)CN2CCN(CC2)C(=O)OCC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C22H27BrN2O5/c1-27-18-12-20(28-2)19(21(13-18)29-3)14-24-7-9-25(10-8-24)22(26)30-15-16-5-4-6-17(23)11-16/h4-6,11-13H,7-10,14-15H2,1-3H3