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

Systemtic Name: (phenylmethyl) 5-(acetyloxymethyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-(acetoxymethyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 5-(acetyloxymethyl)-3,4-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(acetyloxymethyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 5-(acetoxymethyl)-3,4-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)COC(=O)C

Isomeric SMILES

CC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)COC(=O)C

InChI

InChI=1S/C17H19NO4/c1-11-12(2)16(18-15(11)10-21-13(3)19)17(20)22-9-14-7-5-4-6-8-14/h4-8,18H,9-10H2,1-3H3