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4-[4-bromanyl-2-(4,4-diethylcyclohexyl)phenyl]piperazine-1-carboxylic acid

4-[4-bromanyl-2-(4,4-diethylcyclohexyl)phenyl]piperazine-1-carboxylic acid

Systemtic Name:4-[4-bromanyl-2-(4,4-diethylcyclohexyl)phenyl]piperazine-1-carboxylic acid
Openeye Name:4-[4-bromo-2-(4,4-diethylcyclohexyl)phenyl]piperazine-1-carboxylic acid
CAS Name:4-[4-bromo-2-(4,4-diethylcyclohexyl)phenyl]-1-piperazinecarboxylic acid
IUPAC Name:4-[4-bromo-2-(4,4-diethylcyclohexyl)phenyl]piperazine-1-carboxylic acid
Traditional Name:4-[4-bromo-2-(4,4-diethylcyclohexyl)phenyl]piperazine-1-carboxylic acid
Formula: C21H31BrN2O2
MolecularWeight: 423.38704
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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(CC1)C2=C(C=CC(=C2)Br)N3CCN(CC3)C(=O)O)CC


Isomeric SMILES

CCC1(CCC(CC1)C2=C(C=CC(=C2)Br)N3CCN(CC3)C(=O)O)CC


InChI

InChI=1S/C21H31BrN2O2/c1-3-21(4-2)9-7-16(8-10-21)18-15-17(22)5-6-19(18)23-11-13-24(14-12-23)20(25)26/h5-6,15-16H,3-4,7-14H2,1-2H3,(H,25,26)


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