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4-[4-bromanyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid

4-[4-bromanyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid

Systemtic Name:4-[4-bromanyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid
Openeye Name:4-[4-bromo-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid
CAS Name:4-[4-bromo-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-1-piperazinecarboxylic acid
IUPAC Name:4-[4-bromo-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid
Traditional Name:4-[4-bromo-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid
Formula: C21H31BrN2O2
MolecularWeight: 423.38704
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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)C)C2=C(C=CC(=C2)Br)N3CCN(CC3)C(=O)O)C


Isomeric SMILES

CC1(CC(CC(C1)(C)C)C2=C(C=CC(=C2)Br)N3CCN(CC3)C(=O)O)C


InChI

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


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