ethyl 1-methyl-4-pentyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 1-methyl-4-pentyl-pyrrole-2-carboxylate Openeye Name: ethyl 1-methyl-4-pentyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-pentyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-4-pentylpyrrole-2-carboxylate Traditional Name: 4-amyl-1-methyl-pyrrole-2-carboxylic acid ethyl ester Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN(C(=C1)C(=O)OCC)C

Isomeric SMILES

CCCCCC1=CN(C(=C1)C(=O)OCC)C

InChI

InChI=1S/C13H21NO2/c1-4-6-7-8-11-9-12(14(3)10-11)13(15)16-5-2/h9-10H,4-8H2,1-3H3