ethyl 5-hexyl-2-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-hexyl-2-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-hexyl-2-phenyl-1H-pyrrole-3-carboxylate CAS Name: 5-hexyl-2-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-hexyl-2-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-hexyl-2-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H25NO2 MolecularWeight: 299.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(N1)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCCC1=CC(=C(N1)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C19H25NO2/c1-3-5-6-10-13-16-14-17(19(21)22-4-2)18(20-16)15-11-8-7-9-12-15/h7-9,11-12,14,20H,3-6,10,13H2,1-2H3