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P47

Summary
Name:(2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid
Formula:C17 H15 Cl O2
Formal charge:0
Formula weight:286.753 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid
OpenEye OEToolkits1.5.0(Z)-5-(4-chlorophenyl)-3-phenyl-pent-2-enoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccc(cc1)CCC(\c2ccccc2)=C\C(=O)O
SMILES_CANONICALCACTVS3.341OC(=O)\C=C(CCc1ccc(Cl)cc1)/c2ccccc2
SMILESCACTVS3.341OC(=O)C=C(CCc1ccc(Cl)cc1)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)/C(=C\C(=O)O)/CCc2ccc(cc2)Cl
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)C(=CC(=O)O)CCc2ccc(cc2)Cl
InChIInChI1.03InChI=1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12-
InChIKeyInChI1.03LLJYFDRQFPQGNY-QINSGFPZSA-N

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PDB entries from 2024-07-24

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