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4-[4-bromanyl-2-(4,4-diethylcyclohexyl)-5-methoxy-phenyl]piperazine-1-carboxylic acid

4-[4-bromanyl-2-(4,4-diethylcyclohexyl)-5-methoxy-phenyl]piperazine-1-carboxylic acid

Systemtic Name:4-[4-bromanyl-2-(4,4-diethylcyclohexyl)-5-methoxy-phenyl]piperazine-1-carboxylic acid
Openeye Name:4-[4-bromo-2-(4,4-diethylcyclohexyl)-5-methoxy-phenyl]piperazine-1-carboxylic acid
CAS Name:4-[4-bromo-2-(4,4-diethylcyclohexyl)-5-methoxyphenyl]-1-piperazinecarboxylic acid
IUPAC Name:4-[4-bromo-2-(4,4-diethylcyclohexyl)-5-methoxyphenyl]piperazine-1-carboxylic acid
Traditional Name:4-[4-bromo-2-(4,4-diethylcyclohexyl)-5-methoxy-phenyl]piperazine-1-carboxylic acid
Formula: C22H33BrN2O3
MolecularWeight: 453.41302
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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(CC1)C2=CC(=C(C=C2N3CCN(CC3)C(=O)O)OC)Br)CC


Isomeric SMILES

CCC1(CCC(CC1)C2=CC(=C(C=C2N3CCN(CC3)C(=O)O)OC)Br)CC


InChI

InChI=1S/C22H33BrN2O3/c1-4-22(5-2)8-6-16(7-9-22)17-14-18(23)20(28-3)15-19(17)24-10-12-25(13-11-24)21(26)27/h14-16H,4-13H2,1-3H3,(H,26,27)


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