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UID

Summary
Name:ethyl (E)-3-(4-aminophenyl)prop-2-enoate
Formula:C11 H13 N O2
Formal charge:0
Formula weight:191.226 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7ethyl (~{E})-3-(4-aminophenyl)prop-2-enoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C11H13NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2,12H2,1H3/b8-5+
InChIKeyInChI1.06NRPMBSHHBFFYBF-VMPITWQZSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)\C=C\c1ccc(N)cc1
SMILESCACTVS3.385CCOC(=O)C=Cc1ccc(N)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOC(=O)/C=C/c1ccc(cc1)N
SMILESOpenEye OEToolkits2.0.7CCOC(=O)C=Cc1ccc(cc1)N

227344

PDB entries from 2024-11-13

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