ethyl 4-[4-[(2-bromanyl-5,5-dimethyl-cyclohexen-1-yl)methyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[(2-bromanyl-5,5-dimethyl-cyclohexen-1-yl)methyl]piperazin-1-yl]benzoate Openeye Name: ethyl 4-[4-[(2-bromo-5,5-dimethyl-cyclohexen-1-yl)methyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[(2-bromo-5,5-dimethyl-1-cyclohexenyl)methyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-bromo-5,5-dimethylcyclohexen-1-yl)methyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[(2-bromo-5,5-dimethyl-cyclohexen-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(CCC(C3)(C)C)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCC(C3)(C)C)Br

InChI

InChI=1S/C22H31BrN2O2/c1-4-27-21(26)17-5-7-19(8-6-17)25-13-11-24(12-14-25)16-18-15-22(2,3)10-9-20(18)23/h5-8H,4,9-16H2,1-3H3