(phenylmethyl) 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C16H19NO2 MolecularWeight: 257.32756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C16H19NO2/c1-4-14-11(2)15(17-12(14)3)16(18)19-10-13-8-6-5-7-9-13/h5-9,17H,4,10H2,1-3H3