1-butyl-4-ethyl-2-pentyl-3-phenyl-pyrrole

Systemtic Name: 1-butyl-4-ethyl-2-pentyl-3-phenyl-pyrrole Openeye Name: 1-butyl-4-ethyl-2-pentyl-3-phenyl-pyrrole CAS Name: 1-butyl-4-ethyl-2-pentyl-3-phenylpyrrole IUPAC Name: 1-butyl-4-ethyl-2-pentyl-3-phenylpyrrole Traditional Name: 2-amyl-1-butyl-4-ethyl-3-phenyl-pyrrole Formula: C21H31N MolecularWeight: 297.47754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=CN1CCCC)CC)C2=CC=CC=C2

Isomeric SMILES

CCCCCC1=C(C(=CN1CCCC)CC)C2=CC=CC=C2

InChI

InChI=1S/C21H31N/c1-4-7-10-15-20-21(19-13-11-9-12-14-19)18(6-3)17-22(20)16-8-5-2/h9,11-14,17H,4-8,10,15-16H2,1-3H3