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

Systemtic Name: dec-3-ynyl 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate Openeye Name: dec-3-ynyl 4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-piperazinecarboxylic acid dec-3-ynyl ester IUPAC Name: dec-3-ynyl 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-benzyl)piperazine-1-carboxylic acid dec-3-ynyl ester Formula: C24H35BrN2O4 MolecularWeight: 495.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CCCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CCCCCCC#CCCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C24H35BrN2O4/c1-4-5-6-7-8-9-10-11-16-31-24(28)27-14-12-26(13-15-27)19-20-17-22(29-2)23(30-3)18-21(20)25/h17-18H,4-8,11-16,19H2,1-3H3