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A1BSW

Summary
Name:(1R,4S)-2-[(2-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptane-4-carboxamide
Formula:C16 H20 N2 O3
Formal charge:0
Formula weight:288.342 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(1R,4S)-2-[(2-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptane-4-carboxamide
OpenEye OEToolkits3.1.0.0(1~{S},4~{S})-2-[2-(2-methoxyphenyl)ethanoyl]-2-azabicyclo[2.2.1]heptane-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1ccccc1OC)N1CC2(CCC1C2)C(N)=O
InChIInChI1.06InChI=1S/C16H20N2O3/c1-21-13-5-3-2-4-11(13)8-14(19)18-10-16(15(17)20)7-6-12(18)9-16/h2-5,12H,6-10H2,1H3,(H2,17,20)/t12-,16+/m1/s1
InChIKeyInChI1.06SHHPINGYNRIYNK-WBMJQRKESA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1CC(=O)N2C[C@@]3(CC[C@H]2C3)C(N)=O
SMILESCACTVS3.385COc1ccccc1CC(=O)N2C[C]3(CC[CH]2C3)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1ccccc1CC(=O)N2C[C@@]3(CC[C@H]2C3)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0COc1ccccc1CC(=O)N2CC3(CCC2C3)C(=O)N

248636

PDB entries from 2026-02-04

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