4-(2-cyclohexylethanoyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(2-cyclohexylethanoyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(2-cyclohexylacetyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-(2-cyclohexyl-1-oxoethyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(2-cyclohexylacetyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(2-cyclohexylacetyl)-1H-pyrrole-2-carboxylic acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)C2=CNC(=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)CC(=O)C2=CNC(=C2)C(=O)O

InChI

InChI=1S/C13H17NO3/c15-12(6-9-4-2-1-3-5-9)10-7-11(13(16)17)14-8-10/h7-9,14H,1-6H2,(H,16,17)