CJH

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Summary

Name:(2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide
Formula:C19 H18 N2 O3
Formal charge:0
Molecular weight:322.358 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide
OpenEye OEToolkits1.5.0(Z)-2-cyano-N-[4-(3-ethoxyphenyl)phenyl]-3-hydroxy-but-2-enamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04N#C\C(=C(\O)C)C(=O)Nc2ccc(c1cc(OCC)ccc1)cc2
SMILES_CANONICALCACTVS3.341CCOc1cccc(c1)c2ccc(NC(=O)\C(C#N)=C(\C)O)cc2
SMILESCACTVS3.341CCOc1cccc(c1)c2ccc(NC(=O)C(C#N)=C(C)O)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0CCOc1cccc(c1)c2ccc(cc2)NC(=O)/C(=C(/C)\O)/C#N
SMILESOpenEye OEToolkits1.5.0CCOc1cccc(c1)c2ccc(cc2)NC(=O)C(=C(C)O)C#N
InChIInChI1.03InChI=1S/C19H18N2O3/c1-3-24-17-6-4-5-15(11-17)14-7-9-16(10-8-14)21-19(23)18(12-20)13(2)22/h4-11,22H,3H2,1-2H3,(H,21,23)/b18-13-
InChIKeyInChI1.03RPILZQUCBKIPAZ-AQTBWJFISA-N
169117
PDB entries from 2020-09-23