1-(cyclohexylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-(cyclohexylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 1-(cyclohexylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 1-(cyclohexylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-(cyclohexylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCCC2)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1CC2CCCCC2)C)C(=O)O

InChI

InChI=1S/C14H21NO2/c1-10-8-13(14(16)17)11(2)15(10)9-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,16,17)