methyl 5-butyl-4-ethyl-2-methanoyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-butyl-4-ethyl-2-methanoyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-butyl-4-ethyl-2-formyl-1H-pyrrole-3-carboxylate CAS Name: 5-butyl-4-ethyl-2-formyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-butyl-4-ethyl-2-formyl-1H-pyrrole-3-carboxylate Traditional Name: 5-butyl-4-ethyl-2-formyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C13H19NO3 MolecularWeight: 237.29486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1)C=O)C(=O)OC)CC

Isomeric SMILES

CCCCC1=C(C(=C(N1)C=O)C(=O)OC)CC

InChI

InChI=1S/C13H19NO3/c1-4-6-7-10-9(5-2)12(13(16)17-3)11(8-15)14-10/h8,14H,4-7H2,1-3H3