L4M

?

Summary

Name:4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid
Formula:C15 H18 O4
Formal charge:0
Molecular weight:262.301 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid
OpenEye OEToolkits2.0.74-[[(1~{S},2~{S})-2-(2-hydroxy-2-oxoethyl)cyclopentyl]methyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(CCCC1CC(O)=O)Cc2ccc(cc2)C(O)=O
InChIInChI1.03InChI=1S/C15H18O4/c16-14(17)9-13-3-1-2-12(13)8-10-4-6-11(7-5-10)15(18)19/h4-7,12-13H,1-3,8-9H2,(H,16,17)(H,18,19)/t12-,13-/m0/s1
InChIKeyInChI1.03MXTHRYIVPLVGFC-STQMWFEESA-N
SMILES_CANONICALCACTVS3.385OC(=O)C[C@@H]1CCC[C@H]1Cc2ccc(cc2)C(O)=O
SMILESCACTVS3.385OC(=O)C[CH]1CCC[CH]1Cc2ccc(cc2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1C[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1CC2CCCC2CC(=O)O)C(=O)O