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

Systemtic Name: 3-pyridin-2-ylpropyl 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate Openeye Name: 3-(2-pyridyl)propyl 4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-piperazinecarboxylic acid 3-(2-pyridinyl)propyl ester IUPAC Name: 3-pyridin-2-ylpropyl 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-benzyl)piperazine-1-carboxylic acid 3-(2-pyridyl)propyl ester Formula: C22H28BrN3O4 MolecularWeight: 478.37942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCN(CC2)C(=O)OCCCC3=CC=CC=N3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCN(CC2)C(=O)OCCCC3=CC=CC=N3)Br)OC

InChI

InChI=1S/C22H28BrN3O4/c1-28-20-14-17(19(23)15-21(20)29-2)16-25-9-11-26(12-10-25)22(27)30-13-5-7-18-6-3-4-8-24-18/h3-4,6,8,14-15H,5,7,9-13,16H2,1-2H3