5-bicyclo[2.2.1]hept-2-enylmethyl 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate

Systemtic Name: 5-bicyclo[2.2.1]hept-2-enylmethyl 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate Openeye Name: 5-bicyclo[2.2.1]hept-2-enylmethyl 4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-piperazinecarboxylic acid 5-bicyclo[2.2.1]hept-2-enylmethyl ester IUPAC Name: 5-bicyclo[2.2.1]hept-2-enylmethyl 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-benzyl)piperazine-1-carboxylic acid 5-bicyclo[2.2.1]hept-2-enylmethyl ester Formula: C22H29BrN2O4 MolecularWeight: 465.38066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCN(CC2)C(=O)OCC3CC4CC3C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCN(CC2)C(=O)OCC3CC4CC3C=C4)Br)OC

InChI

InChI=1S/C22H29BrN2O4/c1-27-20-11-17(19(23)12-21(20)28-2)13-24-5-7-25(8-6-24)22(26)29-14-18-10-15-3-4-16(18)9-15/h3-4,11-12,15-16,18H,5-10,13-14H2,1-2H3