L6P

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Summary

Name:1-{[(4-cyano-3-cyclopropylphenyl)acetyl]amino}cyclohexane-1-carboxylic acid
Formula:C19 H22 N2 O3
Formal charge:0
Molecular weight:326.39 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{[(4-cyano-3-cyclopropylphenyl)acetyl]amino}cyclohexane-1-carboxylic acid
OpenEye OEToolkits2.0.71-[2-(4-cyano-3-cyclopropyl-phenyl)ethanoylamino]cyclohexane-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(c(C#N)ccc(c1)CC(NC2(CCCCC2)C(O)=O)=O)C3CC3
InChIInChI1.03InChI=1S/C19H22N2O3/c20-12-15-5-4-13(10-16(15)14-6-7-14)11-17(22)21-19(18(23)24)8-2-1-3-9-19/h4-5,10,14H,1-3,6-9,11H2,(H,21,22)(H,23,24)
InChIKeyInChI1.03XZXSSWDGVSHUNZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)C1(CCCCC1)NC(=O)Cc2ccc(C#N)c(c2)C3CC3
SMILESCACTVS3.385OC(=O)C1(CCCCC1)NC(=O)Cc2ccc(C#N)c(c2)C3CC3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1CC(=O)NC2(CCCCC2)C(=O)O)C3CC3)C#N
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1CC(=O)NC2(CCCCC2)C(=O)O)C3CC3)C#N