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R23

Summary
Name:METHYL-[4-(4-PIPERIDINE-1-YLMETHYL-PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID-(4-CHLOROPHENYL)-ESTER
Formula:C26 H33 Cl N2 O2
Formal charge:0
Formula weight:441.005 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-chlorophenyl methyl{trans-4-[4-(piperidin-1-ylmethyl)phenyl]cyclohexyl}carbamate
OpenEye OEToolkits1.5.0(4-chlorophenyl) N-methyl-N-[4-[4-(piperidin-1-ylmethyl)phenyl]cyclohexyl]carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc4ccc(OC(=O)N(C)C3CCC(c1ccc(cc1)CN2CCCCC2)CC3)cc4
SMILES_CANONICALCACTVS3.341CN([C@H]1CC[C@@H](CC1)c2ccc(CN3CCCCC3)cc2)C(=O)Oc4ccc(Cl)cc4
SMILESCACTVS3.341CN([CH]1CC[CH](CC1)c2ccc(CN3CCCCC3)cc2)C(=O)Oc4ccc(Cl)cc4
SMILES_CANONICALOpenEye OEToolkits1.5.0CN(C1CCC(CC1)c2ccc(cc2)CN3CCCCC3)C(=O)Oc4ccc(cc4)Cl
SMILESOpenEye OEToolkits1.5.0CN(C1CCC(CC1)c2ccc(cc2)CN3CCCCC3)C(=O)Oc4ccc(cc4)Cl
InChIInChI1.03InChI=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-
InChIKeyInChI1.03AMKFOVYTEUFMCU-HCGLCNNCSA-N

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PDB entries from 2024-07-31

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