P47

(2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid

Created:2009-06-30
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count36
Aromatic Bond Count12
2D diagram of P47

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Chemical Component Summary

Name(2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid
Systematic Name (OpenEye OEToolkits)(Z)-5-(4-chlorophenyl)-3-phenyl-pent-2-enoic acid
FormulaC17 H15 Cl O2
Molecular Weight286.753
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccc(cc1)CCC(\c2ccccc2)=C\C(=O)O
SMILESCACTVS3.341OC(=O)C=C(CCc1ccc(Cl)cc1)c2ccccc2
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)C(=CC(=O)O)CCc2ccc(cc2)Cl
Canonical SMILESCACTVS3.341 OC(=O)\C=C(CCc1ccc(Cl)cc1)/c2ccccc2
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)/C(=C\C(=O)O)/CCc2ccc(cc2)Cl
InChIInChI1.03 InChI=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-
InChIKeyInChI1.03 LLJYFDRQFPQGNY-QINSGFPZSA-N

Related Resource References

Resource NameReference
PubChem 44141940
ChEMBL CHEMBL539134