tert-butyl 2-ethanoyl-4-pyridin-4-yl-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-ethanoyl-4-pyridin-4-yl-pyrrole-1-carboxylate Openeye Name: tert-butyl 2-acetyl-4-(4-pyridyl)pyrrole-1-carboxylate CAS Name: 2-acetyl-4-pyridin-4-yl-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-acetyl-4-pyridin-4-ylpyrrole-1-carboxylate Traditional Name: 2-acetyl-4-(4-pyridyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C16H18N2O3 MolecularWeight: 286.32572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CN1C(=O)OC(C)(C)C)C2=CC=NC=C2

Isomeric SMILES

CC(=O)C1=CC(=CN1C(=O)OC(C)(C)C)C2=CC=NC=C2

InChI

InChI=1S/C16H18N2O3/c1-11(19)14-9-13(12-5-7-17-8-6-12)10-18(14)15(20)21-16(2,3)4/h5-10H,1-4H3