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 | |
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Formal Charge | 0 |
Atom Count | 35 |
Chiral Atom Count | 0 |
Bond Count | 36 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | (2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid |
Systematic Name (OpenEye OEToolkits) | (Z)-5-(4-chlorophenyl)-3-phenyl-pent-2-enoic acid |
Formula | C17 H15 Cl O2 |
Molecular Weight | 286.753 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)CCC(\c2ccccc2)=C\C(=O)O |
SMILES | CACTVS | 3.341 | OC(=O)C=C(CCc1ccc(Cl)cc1)c2ccccc2 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=CC(=O)O)CCc2ccc(cc2)Cl |
Canonical SMILES | CACTVS | 3.341 | OC(=O)\C=C(CCc1ccc(Cl)cc1)/c2ccccc2 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)/C(=C\C(=O)O)/CCc2ccc(cc2)Cl |
InChI | InChI | 1.03 | 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- |
InChIKey | InChI | 1.03 | LLJYFDRQFPQGNY-QINSGFPZSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 44141940 |
ChEMBL | CHEMBL539134 |