5-cyclohexylcarbonyl-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 5-cyclohexylcarbonyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 5-(cyclohexanecarbonyl)-1-methyl-pyrrole-2-carboxylic acid CAS Name: 5-[cyclohexyl(oxo)methyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 5-(cyclohexanecarbonyl)-1-methylpyrrole-2-carboxylic acid Traditional Name: 5-(cyclohexanecarbonyl)-1-methyl-pyrrole-2-carboxylic acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(=O)O)C(=O)C2CCCCC2

Isomeric SMILES

CN1C(=CC=C1C(=O)O)C(=O)C2CCCCC2

InChI

InChI=1S/C13H17NO3/c1-14-10(7-8-11(14)13(16)17)12(15)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,16,17)