2,5-dimethyl-1-pentyl-pyrrole-3-carboxylic acid

Systemtic Name: 2,5-dimethyl-1-pentyl-pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-1-pentyl-pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-1-pentyl-3-pyrrolecarboxylic acid IUPAC Name: 2,5-dimethyl-1-pentylpyrrole-3-carboxylic acid Traditional Name: 1-amyl-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C12H19NO2 MolecularWeight: 209.28476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=CC(=C1C)C(=O)O)C

Isomeric SMILES

CCCCCN1C(=CC(=C1C)C(=O)O)C

InChI

InChI=1S/C12H19NO2/c1-4-5-6-7-13-9(2)8-11(10(13)3)12(14)15/h8H,4-7H2,1-3H3,(H,14,15)