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A1B3W

Summary
Name:5-chloro-2-methoxyphenyl (3S)-3-carbamoylpiperidine-1-carboxylate
Formula:C14 H17 Cl N2 O4
Formal charge:0
Formula weight:312.749 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.525-chloro-2-methoxyphenyl (3S)-3-carbamoylpiperidine-1-carboxylate
OpenEye OEToolkits3.1.0.0(5-chloranyl-2-methoxy-phenyl) (3~{S})-3-aminocarbonylpiperidine-1-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCCN(C1)C(=O)Oc1cc(Cl)ccc1OC
InChIInChI1.06InChI=1S/C14H17ClN2O4/c1-20-11-5-4-10(15)7-12(11)21-14(19)17-6-2-3-9(8-17)13(16)18/h4-5,7,9H,2-3,6,8H2,1H3,(H2,16,18)/t9-/m0/s1
InChIKeyInChI1.06RWZFWMWMIABRNY-VIFPVBQESA-N
SMILES_CANONICALCACTVS3.385COc1ccc(Cl)cc1OC(=O)N2CCC[C@@H](C2)C(N)=O
SMILESCACTVS3.385COc1ccc(Cl)cc1OC(=O)N2CCC[CH](C2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1ccc(cc1OC(=O)N2CCC[C@@H](C2)C(=O)N)Cl
SMILESOpenEye OEToolkits3.1.0.0COc1ccc(cc1OC(=O)N2CCCC(C2)C(=O)N)Cl

248636

PDB entries from 2026-02-04

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