(phenylmethyl) 3,4-diethyl-5-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 3,4-diethyl-5-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 3,4-diethyl-5-methyl-1H-pyrrole-2-carboxylate CAS Name: 3,4-diethyl-5-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,4-diethyl-5-methyl-1H-pyrrole-2-carboxylate Traditional Name: 3,4-diethyl-5-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C17H21NO2 MolecularWeight: 271.35414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1CC)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(NC(=C1CC)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C17H21NO2/c1-4-14-12(3)18-16(15(14)5-2)17(19)20-11-13-9-7-6-8-10-13/h6-10,18H,4-5,11H2,1-3H3