(phenylmethyl) 5-(acetyloxymethyl)-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-(acetyloxymethyl)-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-(acetoxymethyl)-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-(acetyloxymethyl)-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(acetyloxymethyl)-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-(acetoxymethyl)-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C16H17NO4 MolecularWeight: 287.31048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1)COC(=O)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1)COC(=O)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H17NO4/c1-11-8-14(10-20-12(2)18)17-15(11)16(19)21-9-13-6-4-3-5-7-13/h3-8,17H,9-10H2,1-2H3