tert-butyl 4-butyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 4-butyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 4-butyl-1H-pyrrole-2-carboxylate CAS Name: 4-butyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-butyl-1H-pyrrole-2-carboxylate Traditional Name: 4-butyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CNC(=C1)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=CNC(=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H21NO2/c1-5-6-7-10-8-11(14-9-10)12(15)16-13(2,3)4/h8-9,14H,5-7H2,1-4H3