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31S

Summary
Name:(2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid
Synonyms:PS315
Formula:C23 H19 Cl O2
Formal charge:0
Formula weight:362.849 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid
OpenEye OEToolkits1.7.6(Z)-5-(4-chlorophenyl)-3-(4-phenylphenyl)pent-2-enoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc(cc1)CCC(\c3ccc(c2ccccc2)cc3)=C\C(=O)O
InChIInChI1.03InChI=1S/C23H19ClO2/c24-22-14-7-17(8-15-22)6-9-21(16-23(25)26)20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-5,7-8,10-16H,6,9H2,(H,25,26)/b21-16-
InChIKeyInChI1.03KXEKGLNMBLODQT-PGMHBOJBSA-N
SMILES_CANONICALCACTVS3.385OC(=O)\C=C(\CCc1ccc(Cl)cc1)c2ccc(cc2)c3ccccc3
SMILESCACTVS3.385OC(=O)C=C(CCc1ccc(Cl)cc1)c2ccc(cc2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)c2ccc(cc2)/C(=C\C(=O)O)/CCc3ccc(cc3)Cl
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)c2ccc(cc2)C(=CC(=O)O)CCc3ccc(cc3)Cl

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PDB entries from 2024-07-17

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