1-butyl-2,5-dimethyl-3-phenyl-pyrrole

Systemtic Name: 1-butyl-2,5-dimethyl-3-phenyl-pyrrole Openeye Name: 1-butyl-2,5-dimethyl-3-phenyl-pyrrole CAS Name: 1-butyl-2,5-dimethyl-3-phenylpyrrole IUPAC Name: 1-butyl-2,5-dimethyl-3-phenylpyrrole Traditional Name: 1-butyl-2,5-dimethyl-3-phenyl-pyrrole Formula: C16H21N MolecularWeight: 227.34464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C16H21N/c1-4-5-11-17-13(2)12-16(14(17)3)15-9-7-6-8-10-15/h6-10,12H,4-5,11H2,1-3H3