5-butyl-3-methyl-2-pentyl-1-(phenylmethyl)pyrrole

Systemtic Name: 5-butyl-3-methyl-2-pentyl-1-(phenylmethyl)pyrrole Openeye Name: 1-benzyl-5-butyl-3-methyl-2-pentyl-pyrrole CAS Name: 5-butyl-3-methyl-2-pentyl-1-(phenylmethyl)pyrrole IUPAC Name: 1-benzyl-5-butyl-3-methyl-2-pentylpyrrole Traditional Name: 2-amyl-1-benzyl-5-butyl-3-methyl-pyrrole Formula: C21H31N MolecularWeight: 297.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(N1CC2=CC=CC=C2)CCCC)C

Isomeric SMILES

CCCCCC1=C(C=C(N1CC2=CC=CC=C2)CCCC)C

InChI

InChI=1S/C21H31N/c1-4-6-9-15-21-18(3)16-20(14-7-5-2)22(21)17-19-12-10-8-11-13-19/h8,10-13,16H,4-7,9,14-15,17H2,1-3H3