ethyl 5-methyl-2-octyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-octyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-methyl-2-octyl-1H-pyrrole-3-carboxylate CAS Name: 5-methyl-2-octyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-octyl-1H-pyrrole-3-carboxylate Traditional Name: 5-methyl-2-octyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H27NO2 MolecularWeight: 265.39108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(N1)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCC1=C(C=C(N1)C)C(=O)OCC

InChI

InChI=1S/C16H27NO2/c1-4-6-7-8-9-10-11-15-14(12-13(3)17-15)16(18)19-5-2/h12,17H,4-11H2,1-3H3