ethyl 4-[4-[[(1Z)-2-bromanylcycloocten-1-yl]methyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[[(1Z)-2-bromanylcycloocten-1-yl]methyl]piperazin-1-yl]benzoate Openeye Name: ethyl 4-[4-[[(1Z)-2-bromocycloocten-1-yl]methyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[[(1Z)-2-bromo-1-cyclooctenyl]methyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[[(1Z)-2-bromocycloocten-1-yl]methyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[[(1Z)-2-bromocycloocten-1-yl]methyl]piperazino]benzoic acid ethyl ester Formula: C22H31BrN2O2 MolecularWeight: 435.39774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCCCCC3)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)C/C/3=C(/CCCCCC3)\Br

InChI

InChI=1S/C22H31BrN2O2/c1-2-27-22(26)18-9-11-20(12-10-18)25-15-13-24(14-16-25)17-19-7-5-3-4-6-8-21(19)23/h9-12H,2-8,13-17H2,1H3/b21-19-