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

Systemtic Name: (phenylmethyl) 3,5-dimethyl-4-(phenylcarbonyl)-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-benzoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-benzoyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-benzoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-benzoyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C21H19NO3 MolecularWeight: 333.38046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C2=CC=CC=C2)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C2=CC=CC=C2)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H19NO3/c1-14-18(20(23)17-11-7-4-8-12-17)15(2)22-19(14)21(24)25-13-16-9-5-3-6-10-16/h3-12,22H,13H2,1-2H3