L67

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Summary

Name:{(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid
Formula:C16 H18 O5
Formal charge:0
Molecular weight:290.311 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid
OpenEye OEToolkits2.0.72-[4-[2-(2-hydroxy-2-oxoethyl)cyclopentyl]carbonylphenyl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C2C(C(c1ccc(cc1)CC(=O)O)=O)C(CC2)CC(=O)O
InChIInChI1.03InChI=1S/C16H18O5/c17-14(18)8-10-4-6-11(7-5-10)16(21)13-3-1-2-12(13)9-15(19)20/h4-7,12-13H,1-3,8-9H2,(H,17,18)(H,19,20)
InChIKeyInChI1.03MDWWEFDMQKFGKX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)C[C@@H]1CCC[C@H]1C(=O)c2ccc(CC(O)=O)cc2
SMILESCACTVS3.385OC(=O)C[CH]1CCC[CH]1C(=O)c2ccc(CC(O)=O)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)O
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)O