CVF

?

Summary

Name:3-[4-(2-acetamidoethyl)phenyl]benzoic acid
Formula:C17 H17 N O3
Formal charge:0
Molecular weight:283.322 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.63-[4-(2-acetamidoethyl)phenyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H17NO3/c1-12(19)18-10-9-13-5-7-14(8-6-13)15-3-2-4-16(11-15)17(20)21/h2-8,11H,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyInChI1.03OGVOCGQIMXHGHF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(O)=O
SMILESCACTVS3.385CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(=O)O
SMILESOpenEye OEToolkits2.0.6CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(=O)O