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

Systemtic Name: oct-2-ynyl 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate Openeye Name: oct-2-ynyl 4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-piperazinecarboxylic acid oct-2-ynyl ester IUPAC Name: oct-2-ynyl 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-benzyl)piperazine-1-carboxylic acid oct-2-ynyl ester Formula: C22H31BrN2O4 MolecularWeight: 467.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CCCCCC#CCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C22H31BrN2O4/c1-4-5-6-7-8-9-14-29-22(26)25-12-10-24(11-13-25)17-18-15-20(27-2)21(28-3)16-19(18)23/h15-16H,4-7,10-14,17H2,1-3H3