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CHEBI:47642 - 4-chlorophenyl methyl{trans-4-[4-(piperidin-1-ylmethyl)phenyl]cyclohexyl}carbamate

ChEBI IDCHEBI:47642
ChEBI Name4-chlorophenyl methyl{trans-4-[4-(piperidin-1-ylmethyl)phenyl]cyclohexyl}carbamate
Stars
ASCII Name4-chlorophenyl methyl{trans-4-[4-(piperidin-1-ylmethyl)phenyl]cyclohexyl}carbamate
Last Modified17 October 2009
DownloadsMolfile
FormulaC26H33ClN2O2
Net Charge0
Average Mass441.015
Monoisotopic Mass440.22306
SMILES[H]c1c([H])c(OC(=O)N(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])[C@@]([H])(c3c([H])c([H])c(C([H])([H])N4C([H])([H])C([H])([H])C([H])([H])C([H])([H])C4([H])[H])c([H])c3[H])C([H])([H])C2([H])[H])c([H])c([H])c1Cl
InChIInChI=1S/C26H33ClN2O2/c1-28(26(30)31-25-15-11-23(27)12-16-25)24-13-9-22(10-14-24)21-7-5-20(6-8-21)19-29-17-3-2-4-18-29/h5-8,11-12,15-16,22,24H,2-4,9-10,13-14,17-19H2,1H3/t22-,24-
InChIKeyAMKFOVYTEUFMCU-HCGLCNNCSA-N
ChEBI Ontology
Outgoing Relation(s)
4-chlorophenyl methyl{trans-4-[4-(piperidin-1-ylmethyl)phenyl]cyclohexyl}carbamate (CHEBI:47642) is a carbamate ester (CHEBI:23003)
4-chlorophenyl methyl{trans-4-[4-(piperidin-1-ylmethyl)phenyl]cyclohexyl}carbamate (CHEBI:47642) is a piperidines (CHEBI:26151)
Synonyms  Source
4-chlorophenyl methyl{trans-4-[4-(piperidin-1-ylmethyl)phenyl]cyclohexyl}carbamatePDBeChem
METHYL-[4-(4-PIPERIDINE-1-YLMETHYL-PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID-(4-CHLOROPHENYL)-ESTERPDBeChem
Manual XrefsDatabases
R23PDBeChem