ethyl 4-ethanoyl-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 4-ethanoyl-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 4-acetyl-1-benzyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-1-benzylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-benzyl-pyrrole-2-carboxylic acid ethyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN1CC2=CC=CC=C2)C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CN1CC2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C16H17NO3/c1-3-20-16(19)15-9-14(12(2)18)11-17(15)10-13-7-5-4-6-8-13/h4-9,11H,3,10H2,1-2H3