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

Systemtic Name: ethyl 4-[4-[(2-bromanylcyclohepten-1-yl)methyl]piperazin-1-yl]benzoate Openeye Name: ethyl 4-[4-[(2-bromocyclohepten-1-yl)methyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[(2-bromo-1-cycloheptenyl)methyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-bromocyclohepten-1-yl)methyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[(2-bromocyclohepten-1-yl)methyl]piperazino]benzoic acid ethyl ester Formula: C21H29BrN2O2 MolecularWeight: 421.37116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCCCC3)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCCCC3)Br

InChI

InChI=1S/C21H29BrN2O2/c1-2-26-21(25)17-8-10-19(11-9-17)24-14-12-23(13-15-24)16-18-6-4-3-5-7-20(18)22/h8-11H,2-7,12-16H2,1H3